USER MOD reduce.3.24.130724 H: found=0, std=0, add=632, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 636 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 MET CE :methyl -146:sc= 0 (180deg=-0.754) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 31 THR OG1 : rot 63:sc= 0.964 USER MOD Single : A 34 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0.974) USER MOD Single : A 37 GLN : amide:sc= -0.672 K(o=-0.67,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= 0.0349 K(o=0.035,f=-6.1!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc=-0.00286 X(o=-0.0029,f=-0.0029) USER MOD Single : A 44 SER OG : rot 163:sc= 1.45 USER MOD Single : A 48 THR OG1 : rot -150:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 166:sc= -0.0733 (180deg=-0.367) USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 1.24 (180deg=1.13) USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= -0.0597 (180deg=-0.193) USER MOD Single : A 59 THR OG1 : rot -85:sc= 1.24 USER MOD Single : A 65 MET CE :methyl 176:sc= 0 (180deg=-0.034) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.207 F(o=-2.2,f=-0.21) USER MOD Single : A 69 GLN :FLIP amide:sc= 0 F(o=-0.78,f=0) USER MOD Single : A 70 SER OG : rot 62:sc= 1.13 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -31:sc= 0.27 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 68 GLN :FLIP amide:sc= -0.324 F(o=-2,f=-0.32) USER MOD Single : B 70 GLN : amide:sc= -0.382 X(o=-0.38,f=-0.68) USER MOD Single : B 71 ASN : amide:sc= 1.22 K(o=1.2,f=-0.054) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 12 -9.632 -18.743 -11.525 1.00 13.73 N ATOM 2 CA GLY A 12 -11.103 -18.786 -11.368 1.00 13.35 C ATOM 3 C GLY A 12 -11.717 -17.409 -11.459 1.00 12.90 C ATOM 4 O GLY A 12 -11.138 -16.507 -12.066 1.00 12.88 O ATOM 0 HA2 GLY A 12 -11.532 -19.427 -12.138 1.00 13.35 H new ATOM 0 HA3 GLY A 12 -11.353 -19.233 -10.406 1.00 13.35 H new ATOM 10 N ALA A 13 -12.878 -17.239 -10.849 1.00 12.72 N ATOM 11 CA ALA A 13 -13.586 -15.970 -10.893 1.00 12.50 C ATOM 12 C ALA A 13 -13.070 -15.021 -9.821 1.00 12.15 C ATOM 13 O ALA A 13 -13.112 -15.335 -8.628 1.00 12.34 O ATOM 14 CB ALA A 13 -15.079 -16.198 -10.730 1.00 12.79 C ATOM 0 H ALA A 13 -13.352 -17.967 -10.315 1.00 12.72 H new ATOM 0 HA ALA A 13 -13.405 -15.509 -11.864 1.00 12.50 H new ATOM 0 HB1 ALA A 13 -15.599 -15.241 -10.764 1.00 12.79 H new ATOM 0 HB2 ALA A 13 -15.440 -16.836 -11.537 1.00 12.79 H new ATOM 0 HB3 ALA A 13 -15.271 -16.681 -9.772 1.00 12.79 H new ATOM 20 N MET A 14 -12.578 -13.867 -10.247 1.00 11.84 N ATOM 21 CA MET A 14 -12.048 -12.877 -9.320 1.00 11.71 C ATOM 22 C MET A 14 -12.441 -11.467 -9.736 1.00 11.28 C ATOM 23 O MET A 14 -12.088 -11.004 -10.822 1.00 11.28 O ATOM 24 CB MET A 14 -10.521 -12.969 -9.241 1.00 11.98 C ATOM 25 CG MET A 14 -9.901 -11.913 -8.336 1.00 12.33 C ATOM 26 SD MET A 14 -8.106 -11.821 -8.495 1.00 12.95 S ATOM 27 CE MET A 14 -7.736 -10.492 -7.351 1.00 13.52 C ATOM 0 H MET A 14 -12.535 -13.593 -11.228 1.00 11.84 H new ATOM 0 HA MET A 14 -12.476 -13.090 -8.340 1.00 11.71 H new ATOM 0 HB2 MET A 14 -10.242 -13.958 -8.878 1.00 11.98 H new ATOM 0 HB3 MET A 14 -10.105 -12.868 -10.244 1.00 11.98 H new ATOM 0 HG2 MET A 14 -10.332 -10.940 -8.572 1.00 12.33 H new ATOM 0 HG3 MET A 14 -10.158 -12.133 -7.300 1.00 12.33 H new ATOM 0 HE1 MET A 14 -6.889 -9.916 -7.724 1.00 13.52 H new ATOM 0 HE2 MET A 14 -8.605 -9.840 -7.257 1.00 13.52 H new ATOM 0 HE3 MET A 14 -7.489 -10.910 -6.375 1.00 13.52 H new ATOM 37 N ALA A 15 -13.173 -10.793 -8.869 1.00 11.15 N ATOM 38 CA ALA A 15 -13.478 -9.383 -9.046 1.00 10.97 C ATOM 39 C ALA A 15 -12.859 -8.591 -7.902 1.00 10.34 C ATOM 40 O ALA A 15 -12.477 -7.432 -8.057 1.00 10.56 O ATOM 41 CB ALA A 15 -14.979 -9.159 -9.108 1.00 11.53 C ATOM 0 H ALA A 15 -13.572 -11.204 -8.025 1.00 11.15 H new ATOM 0 HA ALA A 15 -13.056 -9.040 -9.990 1.00 10.97 H new ATOM 0 HB1 ALA A 15 -15.183 -8.097 -9.241 1.00 11.53 H new ATOM 0 HB2 ALA A 15 -15.396 -9.716 -9.947 1.00 11.53 H new ATOM 0 HB3 ALA A 15 -15.437 -9.503 -8.181 1.00 11.53 H new ATOM 47 N THR A 16 -12.767 -9.246 -6.755 1.00 9.75 N ATOM 48 CA THR A 16 -12.117 -8.692 -5.580 1.00 9.29 C ATOM 49 C THR A 16 -11.198 -9.741 -4.959 1.00 8.86 C ATOM 50 O THR A 16 -11.528 -10.929 -4.947 1.00 8.68 O ATOM 51 CB THR A 16 -13.154 -8.228 -4.538 1.00 9.17 C ATOM 52 OG1 THR A 16 -14.258 -9.146 -4.503 1.00 9.57 O ATOM 53 CG2 THR A 16 -13.655 -6.827 -4.853 1.00 9.36 C ATOM 0 H THR A 16 -13.144 -10.183 -6.614 1.00 9.75 H new ATOM 0 HA THR A 16 -11.532 -7.826 -5.889 1.00 9.29 H new ATOM 0 HB THR A 16 -12.670 -8.206 -3.561 1.00 9.17 H new ATOM 0 HG1 THR A 16 -14.912 -8.846 -3.838 1.00 9.57 H new ATOM 0 HG21 THR A 16 -14.385 -6.524 -4.102 1.00 9.36 H new ATOM 0 HG22 THR A 16 -12.817 -6.130 -4.845 1.00 9.36 H new ATOM 0 HG23 THR A 16 -14.123 -6.821 -5.838 1.00 9.36 H new ATOM 61 N PRO A 17 -10.023 -9.330 -4.463 1.00 8.97 N ATOM 62 CA PRO A 17 -9.059 -10.256 -3.869 1.00 8.90 C ATOM 63 C PRO A 17 -9.550 -10.834 -2.544 1.00 8.48 C ATOM 64 O PRO A 17 -9.529 -10.163 -1.510 1.00 8.81 O ATOM 65 CB PRO A 17 -7.811 -9.393 -3.662 1.00 9.47 C ATOM 66 CG PRO A 17 -8.318 -7.995 -3.571 1.00 9.80 C ATOM 67 CD PRO A 17 -9.546 -7.937 -4.440 1.00 9.50 C ATOM 0 HA PRO A 17 -8.883 -11.125 -4.503 1.00 8.90 H new ATOM 0 HB2 PRO A 17 -7.279 -9.680 -2.755 1.00 9.47 H new ATOM 0 HB3 PRO A 17 -7.112 -9.506 -4.490 1.00 9.47 H new ATOM 0 HG2 PRO A 17 -8.558 -7.734 -2.540 1.00 9.80 H new ATOM 0 HG3 PRO A 17 -7.565 -7.285 -3.913 1.00 9.80 H new ATOM 0 HD2 PRO A 17 -10.297 -7.263 -4.028 1.00 9.50 H new ATOM 0 HD3 PRO A 17 -9.311 -7.578 -5.442 1.00 9.50 H new ATOM 75 N GLY A 18 -10.020 -12.072 -2.589 1.00 8.03 N ATOM 76 CA GLY A 18 -10.504 -12.730 -1.393 1.00 7.87 C ATOM 77 C GLY A 18 -10.432 -14.233 -1.515 1.00 7.31 C ATOM 78 O GLY A 18 -9.529 -14.867 -0.962 1.00 7.31 O ATOM 0 H GLY A 18 -10.075 -12.635 -3.438 1.00 8.03 H new ATOM 0 HA2 GLY A 18 -9.915 -12.406 -0.535 1.00 7.87 H new ATOM 0 HA3 GLY A 18 -11.534 -12.429 -1.204 1.00 7.87 H new ATOM 82 N SER A 19 -11.380 -14.808 -2.243 1.00 7.17 N ATOM 83 CA SER A 19 -11.367 -16.234 -2.520 1.00 6.99 C ATOM 84 C SER A 19 -10.163 -16.571 -3.392 1.00 6.42 C ATOM 85 O SER A 19 -9.462 -17.558 -3.156 1.00 6.62 O ATOM 86 CB SER A 19 -12.664 -16.652 -3.213 1.00 7.61 C ATOM 87 OG SER A 19 -13.799 -16.283 -2.442 1.00 8.33 O ATOM 0 H SER A 19 -12.168 -14.306 -2.652 1.00 7.17 H new ATOM 0 HA SER A 19 -11.291 -16.782 -1.581 1.00 6.99 H new ATOM 0 HB2 SER A 19 -12.721 -16.185 -4.196 1.00 7.61 H new ATOM 0 HB3 SER A 19 -12.664 -17.730 -3.372 1.00 7.61 H new ATOM 0 HG SER A 19 -14.615 -16.560 -2.908 1.00 8.33 H new ATOM 93 N GLU A 20 -9.922 -15.736 -4.392 1.00 6.06 N ATOM 94 CA GLU A 20 -8.733 -15.856 -5.207 1.00 5.83 C ATOM 95 C GLU A 20 -7.872 -14.611 -5.063 1.00 5.25 C ATOM 96 O GLU A 20 -8.355 -13.483 -5.200 1.00 5.55 O ATOM 97 CB GLU A 20 -9.085 -16.070 -6.677 1.00 6.34 C ATOM 98 CG GLU A 20 -7.866 -16.374 -7.532 1.00 7.04 C ATOM 99 CD GLU A 20 -8.168 -16.377 -9.009 1.00 7.87 C ATOM 100 OE1 GLU A 20 -8.784 -17.351 -9.488 1.00 8.22 O1- ATOM 101 OE2 GLU A 20 -7.806 -15.400 -9.695 1.00 8.40 O ATOM 0 H GLU A 20 -10.539 -14.968 -4.655 1.00 6.06 H new ATOM 0 HA GLU A 20 -8.177 -16.726 -4.859 1.00 5.83 H new ATOM 0 HB2 GLU A 20 -9.797 -16.891 -6.760 1.00 6.34 H new ATOM 0 HB3 GLU A 20 -9.581 -15.179 -7.062 1.00 6.34 H new ATOM 0 HG2 GLU A 20 -7.092 -15.635 -7.327 1.00 7.04 H new ATOM 0 HG3 GLU A 20 -7.463 -17.346 -7.247 1.00 7.04 H new ATOM 108 N ASN A 21 -6.606 -14.827 -4.762 1.00 4.81 N ATOM 109 CA ASN A 21 -5.631 -13.755 -4.663 1.00 4.60 C ATOM 110 C ASN A 21 -4.238 -14.325 -4.892 1.00 3.95 C ATOM 111 O ASN A 21 -3.586 -14.800 -3.960 1.00 4.31 O ATOM 112 CB ASN A 21 -5.716 -13.080 -3.291 1.00 5.26 C ATOM 113 CG ASN A 21 -4.698 -11.970 -3.119 1.00 5.78 C ATOM 114 OD1 ASN A 21 -4.342 -11.279 -4.072 1.00 5.93 O ATOM 115 ND2 ASN A 21 -4.221 -11.799 -1.899 1.00 6.46 N ATOM 0 H ASN A 21 -6.222 -15.754 -4.578 1.00 4.81 H new ATOM 0 HA ASN A 21 -5.842 -13.002 -5.422 1.00 4.60 H new ATOM 0 HB2 ASN A 21 -6.718 -12.673 -3.153 1.00 5.26 H new ATOM 0 HB3 ASN A 21 -5.566 -13.828 -2.513 1.00 5.26 H new ATOM 0 HD21 ASN A 21 -3.530 -11.071 -1.719 1.00 6.46 H new ATOM 0 HD22 ASN A 21 -4.544 -12.395 -1.137 1.00 6.46 H new ATOM 122 N VAL A 22 -3.803 -14.314 -6.142 1.00 3.50 N ATOM 123 CA VAL A 22 -2.548 -14.947 -6.519 1.00 3.36 C ATOM 124 C VAL A 22 -1.353 -14.026 -6.280 1.00 2.73 C ATOM 125 O VAL A 22 -0.501 -14.317 -5.439 1.00 3.02 O ATOM 126 CB VAL A 22 -2.567 -15.398 -7.996 1.00 4.04 C ATOM 127 CG1 VAL A 22 -1.257 -16.071 -8.376 1.00 4.73 C ATOM 128 CG2 VAL A 22 -3.740 -16.333 -8.254 1.00 4.50 C ATOM 0 H VAL A 22 -4.301 -13.873 -6.915 1.00 3.50 H new ATOM 0 HA VAL A 22 -2.439 -15.825 -5.882 1.00 3.36 H new ATOM 0 HB VAL A 22 -2.686 -14.511 -8.619 1.00 4.04 H new ATOM 0 HG11 VAL A 22 -1.296 -16.379 -9.421 1.00 4.73 H new ATOM 0 HG12 VAL A 22 -0.434 -15.371 -8.235 1.00 4.73 H new ATOM 0 HG13 VAL A 22 -1.101 -16.946 -7.745 1.00 4.73 H new ATOM 0 HG21 VAL A 22 -3.737 -16.640 -9.300 1.00 4.50 H new ATOM 0 HG22 VAL A 22 -3.651 -17.213 -7.617 1.00 4.50 H new ATOM 0 HG23 VAL A 22 -4.673 -15.816 -8.030 1.00 4.50 H new ATOM 138 N LEU A 23 -1.303 -12.913 -7.000 1.00 2.38 N ATOM 139 CA LEU A 23 -0.149 -12.024 -6.951 1.00 1.99 C ATOM 140 C LEU A 23 -0.193 -11.165 -5.688 1.00 1.47 C ATOM 141 O LEU A 23 -1.087 -10.333 -5.526 1.00 1.65 O ATOM 142 CB LEU A 23 -0.115 -11.138 -8.207 1.00 2.48 C ATOM 143 CG LEU A 23 1.276 -10.672 -8.664 1.00 3.11 C ATOM 144 CD1 LEU A 23 1.183 -10.000 -10.024 1.00 3.76 C ATOM 145 CD2 LEU A 23 1.904 -9.720 -7.657 1.00 3.68 C ATOM 0 H LEU A 23 -2.048 -12.604 -7.625 1.00 2.38 H new ATOM 0 HA LEU A 23 0.760 -12.625 -6.924 1.00 1.99 H new ATOM 0 HB2 LEU A 23 -0.581 -11.685 -9.027 1.00 2.48 H new ATOM 0 HB3 LEU A 23 -0.729 -10.257 -8.023 1.00 2.48 H new ATOM 0 HG LEU A 23 1.914 -11.553 -8.738 1.00 3.11 H new ATOM 0 HD11 LEU A 23 2.175 -9.674 -10.337 1.00 3.76 H new ATOM 0 HD12 LEU A 23 0.786 -10.707 -10.753 1.00 3.76 H new ATOM 0 HD13 LEU A 23 0.521 -9.136 -9.959 1.00 3.76 H new ATOM 0 HD21 LEU A 23 2.887 -9.411 -8.013 1.00 3.68 H new ATOM 0 HD22 LEU A 23 1.268 -8.843 -7.540 1.00 3.68 H new ATOM 0 HD23 LEU A 23 2.008 -10.224 -6.696 1.00 3.68 H new ATOM 157 N PRO A 24 0.768 -11.364 -4.774 1.00 1.41 N ATOM 158 CA PRO A 24 0.841 -10.618 -3.525 1.00 1.42 C ATOM 159 C PRO A 24 1.469 -9.243 -3.715 1.00 1.01 C ATOM 160 O PRO A 24 2.679 -9.068 -3.544 1.00 1.47 O ATOM 161 CB PRO A 24 1.723 -11.493 -2.619 1.00 2.16 C ATOM 162 CG PRO A 24 2.091 -12.697 -3.433 1.00 2.42 C ATOM 163 CD PRO A 24 1.860 -12.331 -4.871 1.00 2.01 C ATOM 0 HA PRO A 24 -0.149 -10.429 -3.109 1.00 1.42 H new ATOM 0 HB2 PRO A 24 2.613 -10.951 -2.301 1.00 2.16 H new ATOM 0 HB3 PRO A 24 1.187 -11.783 -1.715 1.00 2.16 H new ATOM 0 HG2 PRO A 24 3.132 -12.974 -3.266 1.00 2.42 H new ATOM 0 HG3 PRO A 24 1.483 -13.556 -3.150 1.00 2.42 H new ATOM 0 HD2 PRO A 24 2.749 -11.896 -5.328 1.00 2.01 H new ATOM 0 HD3 PRO A 24 1.584 -13.197 -5.472 1.00 2.01 H new ATOM 171 N ARG A 25 0.644 -8.272 -4.081 1.00 0.54 N ATOM 172 CA ARG A 25 1.116 -6.915 -4.300 1.00 0.12 C ATOM 173 C ARG A 25 1.128 -6.127 -3.007 1.00 0.03 C ATOM 174 O ARG A 25 2.098 -5.436 -2.711 1.00 0.07 O ATOM 175 CB ARG A 25 0.263 -6.190 -5.335 1.00 0.57 C ATOM 176 CG ARG A 25 0.685 -6.469 -6.762 1.00 1.18 C ATOM 177 CD ARG A 25 -0.130 -5.659 -7.748 1.00 1.47 C ATOM 178 NE ARG A 25 0.380 -5.789 -9.107 1.00 2.21 N ATOM 179 CZ ARG A 25 -0.177 -6.546 -10.042 1.00 2.75 C ATOM 180 NH1 ARG A 25 -1.260 -7.261 -9.769 1.00 2.84 N1+ ATOM 181 NH2 ARG A 25 0.356 -6.587 -11.256 1.00 3.57 N ATOM 0 H ARG A 25 -0.356 -8.401 -4.232 1.00 0.54 H new ATOM 0 HA ARG A 25 2.135 -6.987 -4.679 1.00 0.12 H new ATOM 0 HB2 ARG A 25 -0.779 -6.485 -5.208 1.00 0.57 H new ATOM 0 HB3 ARG A 25 0.316 -5.117 -5.151 1.00 0.57 H new ATOM 0 HG2 ARG A 25 1.743 -6.234 -6.883 1.00 1.18 H new ATOM 0 HG3 ARG A 25 0.568 -7.531 -6.977 1.00 1.18 H new ATOM 0 HD2 ARG A 25 -1.169 -5.987 -7.717 1.00 1.47 H new ATOM 0 HD3 ARG A 25 -0.118 -4.609 -7.454 1.00 1.47 H new ATOM 0 HE ARG A 25 1.219 -5.264 -9.355 1.00 2.21 H new ATOM 0 HH11 ARG A 25 -1.669 -7.230 -8.835 1.00 2.84 H new ATOM 0 HH12 ARG A 25 -1.684 -7.841 -10.493 1.00 2.84 H new ATOM 0 HH21 ARG A 25 1.190 -6.038 -11.466 1.00 3.57 H new ATOM 0 HH22 ARG A 25 -0.068 -7.168 -11.980 1.00 3.57 H new ATOM 195 N GLU A 26 0.062 -6.247 -2.222 1.00 0.00 N ATOM 196 CA GLU A 26 -0.045 -5.475 -0.958 1.00 0.00 C ATOM 197 C GLU A 26 1.117 -5.773 -0.001 1.00 0.00 C ATOM 198 O GLU A 26 1.729 -4.839 0.519 1.00 0.00 O ATOM 199 CB GLU A 26 -1.386 -5.757 -0.280 1.00 0.04 C ATOM 200 CG GLU A 26 -2.579 -5.483 -1.176 1.00 1.19 C ATOM 201 CD GLU A 26 -3.898 -5.648 -0.457 1.00 1.92 C ATOM 202 OE1 GLU A 26 -4.294 -6.802 -0.189 1.00 2.56 O1- ATOM 203 OE2 GLU A 26 -4.548 -4.624 -0.160 1.00 2.45 O ATOM 0 H GLU A 26 -0.733 -6.855 -2.420 1.00 0.00 H new ATOM 0 HA GLU A 26 0.011 -4.417 -1.212 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.412 -6.799 0.040 1.00 0.04 H new ATOM 0 HB3 GLU A 26 -1.467 -5.146 0.619 1.00 0.04 H new ATOM 0 HG2 GLU A 26 -2.508 -4.469 -1.568 1.00 1.19 H new ATOM 0 HG3 GLU A 26 -2.549 -6.158 -2.031 1.00 1.19 H new ATOM 210 N PRO A 27 1.442 -7.068 0.247 1.00 0.00 N ATOM 211 CA PRO A 27 2.561 -7.411 1.139 1.00 0.00 C ATOM 212 C PRO A 27 3.888 -6.842 0.560 1.00 0.00 C ATOM 213 O PRO A 27 4.758 -6.435 1.323 1.00 0.00 O ATOM 214 CB PRO A 27 2.576 -8.944 1.138 1.00 0.01 C ATOM 215 CG PRO A 27 1.207 -9.341 0.704 1.00 0.46 C ATOM 216 CD PRO A 27 0.754 -8.274 -0.251 1.00 0.02 C ATOM 0 HA PRO A 27 2.456 -7.000 2.143 1.00 0.00 H new ATOM 0 HB2 PRO A 27 3.334 -9.331 0.457 1.00 0.01 H new ATOM 0 HB3 PRO A 27 2.806 -9.337 2.128 1.00 0.01 H new ATOM 0 HG2 PRO A 27 1.218 -10.318 0.222 1.00 0.46 H new ATOM 0 HG3 PRO A 27 0.532 -9.414 1.557 1.00 0.46 H new ATOM 0 HD2 PRO A 27 1.037 -8.505 -1.278 1.00 0.02 H new ATOM 0 HD3 PRO A 27 -0.329 -8.155 -0.238 1.00 0.02 H new ATOM 224 N LEU A 28 4.025 -6.817 -0.773 1.00 0.00 N ATOM 225 CA LEU A 28 5.239 -6.279 -1.433 1.00 0.00 C ATOM 226 C LEU A 28 5.259 -4.743 -1.198 1.00 0.00 C ATOM 227 O LEU A 28 6.283 -4.183 -0.818 1.00 0.00 O ATOM 228 CB LEU A 28 5.223 -6.594 -2.934 1.00 0.02 C ATOM 229 CG LEU A 28 6.445 -6.112 -3.720 1.00 0.88 C ATOM 230 CD1 LEU A 28 7.711 -6.791 -3.217 1.00 1.71 C ATOM 231 CD2 LEU A 28 6.254 -6.373 -5.206 1.00 1.57 C ATOM 0 H LEU A 28 3.316 -7.161 -1.421 1.00 0.00 H new ATOM 0 HA LEU A 28 6.134 -6.740 -1.014 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.133 -7.673 -3.060 1.00 0.02 H new ATOM 0 HB3 LEU A 28 4.331 -6.147 -3.372 1.00 0.02 H new ATOM 0 HG LEU A 28 6.551 -5.038 -3.567 1.00 0.88 H new ATOM 0 HD11 LEU A 28 8.567 -6.434 -3.789 1.00 1.71 H new ATOM 0 HD12 LEU A 28 7.856 -6.556 -2.163 1.00 1.71 H new ATOM 0 HD13 LEU A 28 7.618 -7.870 -3.338 1.00 1.71 H new ATOM 0 HD21 LEU A 28 7.131 -6.025 -5.752 1.00 1.57 H new ATOM 0 HD22 LEU A 28 6.123 -7.442 -5.374 1.00 1.57 H new ATOM 0 HD23 LEU A 28 5.371 -5.839 -5.559 1.00 1.57 H new ATOM 243 N ILE A 29 4.127 -4.088 -1.423 1.00 0.01 N ATOM 244 CA ILE A 29 3.979 -2.646 -1.220 1.00 0.01 C ATOM 245 C ILE A 29 4.325 -2.363 0.273 1.00 0.00 C ATOM 246 O ILE A 29 5.053 -1.434 0.593 1.00 0.00 O ATOM 247 CB ILE A 29 2.547 -2.149 -1.537 1.00 0.06 C ATOM 248 CG1 ILE A 29 2.229 -2.358 -3.020 1.00 0.43 C ATOM 249 CG2 ILE A 29 2.391 -0.680 -1.158 1.00 0.43 C ATOM 250 CD1 ILE A 29 0.811 -1.981 -3.400 1.00 1.07 C ATOM 0 H ILE A 29 3.277 -4.543 -1.754 1.00 0.01 H new ATOM 0 HA ILE A 29 4.644 -2.113 -1.899 1.00 0.01 H new ATOM 0 HB ILE A 29 1.840 -2.730 -0.945 1.00 0.06 H new ATOM 0 HG12 ILE A 29 2.924 -1.769 -3.618 1.00 0.43 H new ATOM 0 HG13 ILE A 29 2.397 -3.404 -3.274 1.00 0.43 H new ATOM 0 HG21 ILE A 29 1.378 -0.350 -1.389 1.00 0.43 H new ATOM 0 HG22 ILE A 29 2.578 -0.558 -0.091 1.00 0.43 H new ATOM 0 HG23 ILE A 29 3.105 -0.081 -1.723 1.00 0.43 H new ATOM 0 HD11 ILE A 29 0.661 -2.156 -4.465 1.00 1.07 H new ATOM 0 HD12 ILE A 29 0.108 -2.588 -2.830 1.00 1.07 H new ATOM 0 HD13 ILE A 29 0.643 -0.927 -3.179 1.00 1.07 H new ATOM 262 N ALA A 30 3.784 -3.197 1.174 1.00 0.00 N ATOM 263 CA ALA A 30 4.039 -3.055 2.617 1.00 0.00 C ATOM 264 C ALA A 30 5.562 -3.133 2.879 1.00 0.00 C ATOM 265 O ALA A 30 6.095 -2.372 3.680 1.00 0.00 O ATOM 266 CB ALA A 30 3.298 -4.130 3.399 1.00 0.01 C ATOM 0 H ALA A 30 3.170 -3.974 0.931 1.00 0.00 H new ATOM 0 HA ALA A 30 3.671 -2.086 2.954 1.00 0.00 H new ATOM 0 HB1 ALA A 30 3.499 -4.009 4.464 1.00 0.01 H new ATOM 0 HB2 ALA A 30 2.227 -4.038 3.219 1.00 0.01 H new ATOM 0 HB3 ALA A 30 3.637 -5.114 3.076 1.00 0.01 H new ATOM 272 N THR A 31 6.249 -4.053 2.196 1.00 0.00 N ATOM 273 CA THR A 31 7.703 -4.220 2.344 1.00 0.00 C ATOM 274 C THR A 31 8.402 -2.937 1.839 1.00 0.00 C ATOM 275 O THR A 31 9.347 -2.450 2.462 1.00 0.00 O ATOM 276 CB THR A 31 8.216 -5.444 1.554 1.00 0.08 C ATOM 277 OG1 THR A 31 7.516 -6.625 1.969 1.00 0.99 O ATOM 278 CG2 THR A 31 9.711 -5.643 1.758 1.00 1.09 C ATOM 0 H THR A 31 5.822 -4.698 1.531 1.00 0.00 H new ATOM 0 HA THR A 31 7.932 -4.389 3.396 1.00 0.00 H new ATOM 0 HB THR A 31 8.032 -5.261 0.495 1.00 0.08 H new ATOM 0 HG1 THR A 31 6.564 -6.534 1.754 1.00 0.99 H new ATOM 0 HG21 THR A 31 10.043 -6.512 1.190 1.00 1.09 H new ATOM 0 HG22 THR A 31 10.246 -4.758 1.414 1.00 1.09 H new ATOM 0 HG23 THR A 31 9.916 -5.802 2.817 1.00 1.09 H new ATOM 286 N ALA A 32 7.921 -2.406 0.711 1.00 0.00 N ATOM 287 CA ALA A 32 8.472 -1.180 0.115 1.00 0.00 C ATOM 288 C ALA A 32 8.275 0.009 1.083 1.00 0.00 C ATOM 289 O ALA A 32 9.124 0.893 1.151 1.00 0.00 O ATOM 290 CB ALA A 32 7.812 -0.894 -1.225 1.00 0.00 C ATOM 0 H ALA A 32 7.144 -2.809 0.187 1.00 0.00 H new ATOM 0 HA ALA A 32 9.539 -1.321 -0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.233 0.017 -1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.991 -1.728 -1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 32 6.739 -0.766 -1.082 1.00 0.00 H new ATOM 296 N VAL A 33 7.161 0.022 1.822 1.00 0.00 N ATOM 297 CA VAL A 33 6.890 1.093 2.783 1.00 0.00 C ATOM 298 C VAL A 33 7.980 1.044 3.891 1.00 0.00 C ATOM 299 O VAL A 33 8.515 2.082 4.286 1.00 0.00 O ATOM 300 CB VAL A 33 5.486 0.967 3.421 1.00 0.01 C ATOM 301 CG1 VAL A 33 5.275 2.038 4.484 1.00 0.03 C ATOM 302 CG2 VAL A 33 4.402 1.061 2.356 1.00 0.02 C ATOM 0 H VAL A 33 6.436 -0.694 1.773 1.00 0.00 H new ATOM 0 HA VAL A 33 6.914 2.046 2.254 1.00 0.00 H new ATOM 0 HB VAL A 33 5.420 -0.010 3.899 1.00 0.01 H new ATOM 0 HG11 VAL A 33 4.281 1.929 4.918 1.00 0.03 H new ATOM 0 HG12 VAL A 33 6.026 1.928 5.266 1.00 0.03 H new ATOM 0 HG13 VAL A 33 5.366 3.025 4.030 1.00 0.03 H new ATOM 0 HG21 VAL A 33 3.422 0.970 2.825 1.00 0.02 H new ATOM 0 HG22 VAL A 33 4.473 2.023 1.848 1.00 0.02 H new ATOM 0 HG23 VAL A 33 4.533 0.257 1.631 1.00 0.02 H new ATOM 312 N LYS A 34 8.298 -0.166 4.375 1.00 0.00 N ATOM 313 CA LYS A 34 9.319 -0.365 5.432 1.00 0.00 C ATOM 314 C LYS A 34 10.670 0.110 4.923 1.00 0.00 C ATOM 315 O LYS A 34 11.434 0.756 5.645 1.00 0.00 O ATOM 316 CB LYS A 34 9.388 -1.847 5.823 1.00 0.03 C ATOM 317 CG LYS A 34 10.487 -2.169 6.822 1.00 1.12 C ATOM 318 CD LYS A 34 10.227 -1.532 8.178 1.00 1.73 C ATOM 319 CE LYS A 34 11.400 -1.741 9.125 1.00 2.35 C ATOM 320 NZ LYS A 34 11.742 -3.178 9.284 1.00 3.06 N1+ ATOM 0 H LYS A 34 7.863 -1.031 4.053 1.00 0.00 H new ATOM 0 HA LYS A 34 9.046 0.213 6.315 1.00 0.00 H new ATOM 0 HB2 LYS A 34 8.428 -2.147 6.244 1.00 0.03 H new ATOM 0 HB3 LYS A 34 9.542 -2.443 4.924 1.00 0.03 H new ATOM 0 HG2 LYS A 34 10.566 -3.250 6.938 1.00 1.12 H new ATOM 0 HG3 LYS A 34 11.444 -1.819 6.434 1.00 1.12 H new ATOM 0 HD2 LYS A 34 10.046 -0.465 8.051 1.00 1.73 H new ATOM 0 HD3 LYS A 34 9.324 -1.959 8.615 1.00 1.73 H new ATOM 0 HE2 LYS A 34 12.269 -1.202 8.749 1.00 2.35 H new ATOM 0 HE3 LYS A 34 11.159 -1.316 10.099 1.00 2.35 H new ATOM 0 HZ1 LYS A 34 12.427 -3.288 10.059 1.00 3.06 H new ATOM 0 HZ2 LYS A 34 10.881 -3.718 9.504 1.00 3.06 H new ATOM 0 HZ3 LYS A 34 12.158 -3.536 8.401 1.00 3.06 H new ATOM 334 N PHE A 35 10.949 -0.221 3.663 1.00 0.00 N ATOM 335 CA PHE A 35 12.185 0.167 2.998 1.00 0.00 C ATOM 336 C PHE A 35 12.263 1.718 2.992 1.00 0.00 C ATOM 337 O PHE A 35 13.262 2.291 3.425 1.00 0.00 O ATOM 338 CB PHE A 35 12.238 -0.394 1.576 1.00 0.02 C ATOM 339 CG PHE A 35 13.535 -0.120 0.867 1.00 0.15 C ATOM 340 CD1 PHE A 35 14.747 -0.501 1.426 1.00 0.28 C ATOM 341 CD2 PHE A 35 13.542 0.518 -0.363 1.00 0.32 C ATOM 342 CE1 PHE A 35 15.933 -0.250 0.771 1.00 0.39 C ATOM 343 CE2 PHE A 35 14.730 0.768 -1.022 1.00 0.43 C ATOM 344 CZ PHE A 35 15.926 0.381 -0.452 1.00 0.43 C ATOM 0 H PHE A 35 10.320 -0.768 3.075 1.00 0.00 H new ATOM 0 HA PHE A 35 13.042 -0.243 3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 35 12.075 -1.471 1.613 1.00 0.02 H new ATOM 0 HB3 PHE A 35 11.420 0.032 0.996 1.00 0.02 H new ATOM 0 HD1 PHE A 35 14.761 -0.999 2.384 1.00 0.28 H new ATOM 0 HD2 PHE A 35 12.608 0.823 -0.811 1.00 0.32 H new ATOM 0 HE1 PHE A 35 16.870 -0.549 1.218 1.00 0.39 H new ATOM 0 HE2 PHE A 35 14.723 1.265 -1.981 1.00 0.43 H new ATOM 0 HZ PHE A 35 16.856 0.573 -0.966 1.00 0.43 H new ATOM 354 N LEU A 36 11.202 2.378 2.507 1.00 0.00 N ATOM 355 CA LEU A 36 11.138 3.845 2.433 1.00 0.00 C ATOM 356 C LEU A 36 11.176 4.556 3.781 1.00 0.00 C ATOM 357 O LEU A 36 11.542 5.732 3.854 1.00 0.00 O ATOM 358 CB LEU A 36 9.885 4.271 1.666 1.00 0.02 C ATOM 359 CG LEU A 36 9.804 3.773 0.220 1.00 0.86 C ATOM 360 CD1 LEU A 36 8.545 4.295 -0.454 1.00 1.51 C ATOM 361 CD2 LEU A 36 11.041 4.187 -0.563 1.00 1.55 C ATOM 0 H LEU A 36 10.366 1.912 2.156 1.00 0.00 H new ATOM 0 HA LEU A 36 12.044 4.150 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.009 3.913 2.206 1.00 0.02 H new ATOM 0 HB3 LEU A 36 9.834 5.360 1.662 1.00 0.02 H new ATOM 0 HG LEU A 36 9.760 2.684 0.236 1.00 0.86 H new ATOM 0 HD11 LEU A 36 8.504 3.931 -1.481 1.00 1.51 H new ATOM 0 HD12 LEU A 36 7.668 3.944 0.091 1.00 1.51 H new ATOM 0 HD13 LEU A 36 8.558 5.385 -0.456 1.00 1.51 H new ATOM 0 HD21 LEU A 36 10.962 3.823 -1.587 1.00 1.55 H new ATOM 0 HD22 LEU A 36 11.120 5.274 -0.570 1.00 1.55 H new ATOM 0 HD23 LEU A 36 11.928 3.761 -0.094 1.00 1.55 H new ATOM 373 N GLN A 37 10.801 3.851 4.840 1.00 0.00 N ATOM 374 CA GLN A 37 10.804 4.429 6.185 1.00 0.00 C ATOM 375 C GLN A 37 12.160 4.237 6.893 1.00 0.00 C ATOM 376 O GLN A 37 12.401 4.821 7.956 1.00 0.00 O ATOM 377 CB GLN A 37 9.670 3.847 7.025 1.00 0.04 C ATOM 378 CG GLN A 37 8.331 4.496 6.725 1.00 1.15 C ATOM 379 CD GLN A 37 8.328 5.977 7.063 1.00 1.62 C ATOM 380 OE1 GLN A 37 8.701 6.818 6.242 1.00 2.24 O ATOM 381 NE2 GLN A 37 7.893 6.310 8.267 1.00 2.28 N ATOM 0 H GLN A 37 10.491 2.880 4.798 1.00 0.00 H new ATOM 0 HA GLN A 37 10.644 5.502 6.077 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.600 2.775 6.841 1.00 0.04 H new ATOM 0 HB3 GLN A 37 9.903 3.975 8.082 1.00 0.04 H new ATOM 0 HG2 GLN A 37 8.093 4.365 5.669 1.00 1.15 H new ATOM 0 HG3 GLN A 37 7.549 3.993 7.293 1.00 1.15 H new ATOM 0 HE21 GLN A 37 7.593 5.586 8.919 1.00 2.28 H new ATOM 0 HE22 GLN A 37 7.858 7.291 8.543 1.00 2.28 H new ATOM 390 N ASN A 38 13.033 3.423 6.302 1.00 0.00 N ATOM 391 CA ASN A 38 14.366 3.138 6.871 1.00 0.00 C ATOM 392 C ASN A 38 15.243 4.375 6.895 1.00 0.00 C ATOM 393 O ASN A 38 15.328 5.095 5.902 1.00 0.00 O ATOM 394 CB ASN A 38 15.062 2.020 6.091 1.00 0.03 C ATOM 395 CG ASN A 38 16.422 1.668 6.669 1.00 0.88 C ATOM 396 OD1 ASN A 38 17.440 2.255 6.296 1.00 1.66 O ATOM 397 ND2 ASN A 38 16.451 0.703 7.576 1.00 1.27 N ATOM 0 H ASN A 38 12.847 2.942 5.422 1.00 0.00 H new ATOM 0 HA ASN A 38 14.213 2.812 7.900 1.00 0.00 H new ATOM 0 HB2 ASN A 38 14.429 1.132 6.092 1.00 0.03 H new ATOM 0 HB3 ASN A 38 15.181 2.326 5.052 1.00 0.03 H new ATOM 0 HD21 ASN A 38 17.338 0.421 7.993 1.00 1.27 H new ATOM 0 HD22 ASN A 38 15.586 0.242 7.858 1.00 1.27 H new ATOM 404 N SER A 39 15.891 4.618 8.029 1.00 0.00 N ATOM 405 CA SER A 39 16.762 5.789 8.204 1.00 0.00 C ATOM 406 C SER A 39 17.856 5.966 7.171 1.00 0.00 C ATOM 407 O SER A 39 18.055 7.072 6.660 1.00 0.00 O ATOM 408 CB SER A 39 17.378 5.750 9.603 1.00 0.02 C ATOM 409 OG SER A 39 17.952 4.480 9.870 1.00 1.29 O ATOM 0 H SER A 39 15.832 4.017 8.851 1.00 0.00 H new ATOM 0 HA SER A 39 16.111 6.652 8.065 1.00 0.00 H new ATOM 0 HB2 SER A 39 18.141 6.524 9.690 1.00 0.02 H new ATOM 0 HB3 SER A 39 16.613 5.971 10.347 1.00 0.02 H new ATOM 0 HG SER A 39 18.341 4.479 10.769 1.00 1.29 H new ATOM 415 N ARG A 40 18.565 4.883 6.868 1.00 0.00 N ATOM 416 CA ARG A 40 19.645 4.923 5.884 1.00 0.00 C ATOM 417 C ARG A 40 19.072 5.182 4.492 1.00 0.00 C ATOM 418 O ARG A 40 19.622 5.963 3.720 1.00 0.00 O ATOM 419 CB ARG A 40 20.416 3.602 5.886 1.00 0.04 C ATOM 420 CG ARG A 40 20.904 3.167 7.258 1.00 0.70 C ATOM 421 CD ARG A 40 21.609 1.821 7.188 1.00 1.41 C ATOM 422 NE ARG A 40 21.964 1.311 8.510 1.00 2.12 N ATOM 423 CZ ARG A 40 22.531 0.124 8.724 1.00 3.08 C ATOM 424 NH1 ARG A 40 22.847 -0.659 7.700 1.00 3.56 N1+ ATOM 425 NH2 ARG A 40 22.796 -0.272 9.961 1.00 3.96 N ATOM 0 H ARG A 40 18.412 3.966 7.289 1.00 0.00 H new ATOM 0 HA ARG A 40 20.328 5.730 6.149 1.00 0.00 H new ATOM 0 HB2 ARG A 40 19.776 2.820 5.476 1.00 0.04 H new ATOM 0 HB3 ARG A 40 21.274 3.694 5.220 1.00 0.04 H new ATOM 0 HG2 ARG A 40 21.585 3.917 7.660 1.00 0.70 H new ATOM 0 HG3 ARG A 40 20.060 3.103 7.944 1.00 0.70 H new ATOM 0 HD2 ARG A 40 20.963 1.101 6.685 1.00 1.41 H new ATOM 0 HD3 ARG A 40 22.511 1.917 6.584 1.00 1.41 H new ATOM 0 HE ARG A 40 21.766 1.900 9.319 1.00 2.12 H new ATOM 0 HH11 ARG A 40 22.656 -0.353 6.746 1.00 3.56 H new ATOM 0 HH12 ARG A 40 23.281 -1.567 7.867 1.00 3.56 H new ATOM 0 HH21 ARG A 40 22.566 0.332 10.750 1.00 3.96 H new ATOM 0 HH22 ARG A 40 23.230 -1.181 10.124 1.00 3.96 H new ATOM 439 N VAL A 41 17.960 4.517 4.183 1.00 0.00 N ATOM 440 CA VAL A 41 17.309 4.667 2.887 1.00 0.00 C ATOM 441 C VAL A 41 16.863 6.105 2.635 1.00 0.00 C ATOM 442 O VAL A 41 17.041 6.627 1.534 1.00 0.00 O ATOM 443 CB VAL A 41 16.091 3.732 2.757 1.00 0.03 C ATOM 444 CG1 VAL A 41 15.359 3.957 1.440 1.00 0.06 C ATOM 445 CG2 VAL A 41 16.535 2.290 2.878 1.00 0.10 C ATOM 0 H VAL A 41 17.492 3.868 4.816 1.00 0.00 H new ATOM 0 HA VAL A 41 18.053 4.395 2.139 1.00 0.00 H new ATOM 0 HB VAL A 41 15.395 3.961 3.564 1.00 0.03 H new ATOM 0 HG11 VAL A 41 14.505 3.282 1.379 1.00 0.06 H new ATOM 0 HG12 VAL A 41 15.011 4.989 1.389 1.00 0.06 H new ATOM 0 HG13 VAL A 41 16.037 3.761 0.609 1.00 0.06 H new ATOM 0 HG21 VAL A 41 15.670 1.634 2.785 1.00 0.10 H new ATOM 0 HG22 VAL A 41 17.250 2.062 2.087 1.00 0.10 H new ATOM 0 HG23 VAL A 41 17.006 2.135 3.849 1.00 0.10 H new ATOM 455 N ARG A 42 16.288 6.740 3.654 1.00 0.00 N ATOM 456 CA ARG A 42 15.811 8.122 3.544 1.00 0.00 C ATOM 457 C ARG A 42 16.913 9.133 3.250 1.00 0.00 C ATOM 458 O ARG A 42 16.631 10.265 2.848 1.00 0.00 O ATOM 459 CB ARG A 42 15.081 8.515 4.830 1.00 0.05 C ATOM 460 CG ARG A 42 14.075 9.645 4.649 1.00 1.16 C ATOM 461 CD ARG A 42 14.399 10.845 5.526 1.00 1.46 C ATOM 462 NE ARG A 42 15.557 11.591 5.039 1.00 2.00 N ATOM 463 CZ ARG A 42 16.118 12.610 5.691 1.00 2.62 C ATOM 464 NH1 ARG A 42 15.657 12.981 6.879 1.00 2.86 N1+ ATOM 465 NH2 ARG A 42 17.143 13.257 5.150 1.00 3.47 N ATOM 0 H ARG A 42 16.139 6.319 4.571 1.00 0.00 H new ATOM 0 HA ARG A 42 15.135 8.149 2.689 1.00 0.00 H new ATOM 0 HB2 ARG A 42 14.563 7.640 5.224 1.00 0.05 H new ATOM 0 HB3 ARG A 42 15.817 8.813 5.577 1.00 0.05 H new ATOM 0 HG2 ARG A 42 14.061 9.954 3.604 1.00 1.16 H new ATOM 0 HG3 ARG A 42 13.075 9.282 4.887 1.00 1.16 H new ATOM 0 HD2 ARG A 42 13.534 11.507 5.566 1.00 1.46 H new ATOM 0 HD3 ARG A 42 14.589 10.507 6.545 1.00 1.46 H new ATOM 0 HE ARG A 42 15.962 11.315 4.144 1.00 2.00 H new ATOM 0 HH11 ARG A 42 14.870 12.486 7.298 1.00 2.86 H new ATOM 0 HH12 ARG A 42 16.090 13.761 7.373 1.00 2.86 H new ATOM 0 HH21 ARG A 42 17.500 12.974 4.237 1.00 3.47 H new ATOM 0 HH22 ARG A 42 17.574 14.037 5.647 1.00 3.47 H new ATOM 479 N GLN A 43 18.161 8.722 3.449 1.00 0.00 N ATOM 480 CA GLN A 43 19.303 9.595 3.204 1.00 0.00 C ATOM 481 C GLN A 43 19.651 9.680 1.718 1.00 0.00 C ATOM 482 O GLN A 43 20.323 10.618 1.279 1.00 0.00 O ATOM 483 CB GLN A 43 20.522 9.087 3.973 1.00 0.03 C ATOM 484 CG GLN A 43 20.311 8.968 5.473 1.00 1.21 C ATOM 485 CD GLN A 43 20.125 10.308 6.155 1.00 1.79 C ATOM 486 OE1 GLN A 43 21.096 10.949 6.556 1.00 2.41 O ATOM 487 NE2 GLN A 43 18.880 10.724 6.322 1.00 2.48 N ATOM 0 H GLN A 43 18.407 7.789 3.780 1.00 0.00 H new ATOM 0 HA GLN A 43 19.027 10.592 3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 43 20.804 8.111 3.579 1.00 0.03 H new ATOM 0 HB3 GLN A 43 21.360 9.760 3.788 1.00 0.03 H new ATOM 0 HG2 GLN A 43 19.436 8.346 5.663 1.00 1.21 H new ATOM 0 HG3 GLN A 43 21.167 8.458 5.915 1.00 1.21 H new ATOM 0 HE21 GLN A 43 18.103 10.162 5.974 1.00 2.48 H new ATOM 0 HE22 GLN A 43 18.697 11.607 6.799 1.00 2.48 H new ATOM 496 N SER A 44 19.194 8.698 0.950 1.00 0.00 N ATOM 497 CA SER A 44 19.470 8.665 -0.476 1.00 0.00 C ATOM 498 C SER A 44 18.525 9.547 -1.271 1.00 0.00 C ATOM 499 O SER A 44 17.390 9.779 -0.844 1.00 0.00 O ATOM 500 CB SER A 44 19.437 7.236 -0.980 1.00 0.04 C ATOM 501 OG SER A 44 20.462 6.474 -0.362 1.00 0.95 O ATOM 0 H SER A 44 18.633 7.918 1.292 1.00 0.00 H new ATOM 0 HA SER A 44 20.470 9.071 -0.626 1.00 0.00 H new ATOM 0 HB2 SER A 44 18.465 6.791 -0.768 1.00 0.04 H new ATOM 0 HB3 SER A 44 19.565 7.221 -2.062 1.00 0.04 H new ATOM 0 HG SER A 44 20.273 5.519 -0.475 1.00 0.95 H new ATOM 507 N PRO A 45 18.975 10.057 -2.440 1.00 0.00 N ATOM 508 CA PRO A 45 18.121 10.903 -3.262 1.00 0.00 C ATOM 509 C PRO A 45 16.835 10.162 -3.644 1.00 0.00 C ATOM 510 O PRO A 45 16.838 8.936 -3.803 1.00 0.00 O ATOM 511 CB PRO A 45 18.975 11.186 -4.504 1.00 0.00 C ATOM 512 CG PRO A 45 20.381 10.953 -4.063 1.00 0.02 C ATOM 513 CD PRO A 45 20.314 9.872 -3.022 1.00 0.01 C ATOM 0 HA PRO A 45 17.807 11.813 -2.751 1.00 0.00 H new ATOM 0 HB2 PRO A 45 18.705 10.526 -5.328 1.00 0.00 H new ATOM 0 HB3 PRO A 45 18.835 12.208 -4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 45 21.008 10.649 -4.901 1.00 0.02 H new ATOM 0 HG3 PRO A 45 20.817 11.864 -3.653 1.00 0.02 H new ATOM 0 HD2 PRO A 45 20.430 8.881 -3.461 1.00 0.01 H new ATOM 0 HD3 PRO A 45 21.099 9.983 -2.273 1.00 0.01 H new ATOM 521 N LEU A 46 15.750 10.912 -3.786 1.00 0.00 N ATOM 522 CA LEU A 46 14.464 10.343 -4.150 1.00 0.00 C ATOM 523 C LEU A 46 14.557 9.406 -5.367 1.00 0.00 C ATOM 524 O LEU A 46 14.077 8.270 -5.306 1.00 0.00 O ATOM 525 CB LEU A 46 13.455 11.473 -4.407 1.00 0.03 C ATOM 526 CG LEU A 46 11.984 11.050 -4.530 1.00 1.24 C ATOM 527 CD1 LEU A 46 11.071 12.207 -4.156 1.00 2.00 C ATOM 528 CD2 LEU A 46 11.665 10.580 -5.942 1.00 1.95 C ATOM 0 H LEU A 46 15.738 11.923 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 46 14.123 9.731 -3.315 1.00 0.00 H new ATOM 0 HB2 LEU A 46 13.537 12.197 -3.597 1.00 0.03 H new ATOM 0 HB3 LEU A 46 13.742 11.987 -5.324 1.00 0.03 H new ATOM 0 HG LEU A 46 11.815 10.220 -3.844 1.00 1.24 H new ATOM 0 HD11 LEU A 46 10.031 11.894 -4.247 1.00 2.00 H new ATOM 0 HD12 LEU A 46 11.270 12.510 -3.128 1.00 2.00 H new ATOM 0 HD13 LEU A 46 11.257 13.048 -4.824 1.00 2.00 H new ATOM 0 HD21 LEU A 46 10.617 10.287 -6.000 1.00 1.95 H new ATOM 0 HD22 LEU A 46 11.855 11.390 -6.647 1.00 1.95 H new ATOM 0 HD23 LEU A 46 12.295 9.726 -6.192 1.00 1.95 H new ATOM 540 N ALA A 47 15.168 9.881 -6.456 1.00 0.00 N ATOM 541 CA ALA A 47 15.314 9.085 -7.684 1.00 0.00 C ATOM 542 C ALA A 47 15.966 7.735 -7.428 1.00 0.00 C ATOM 543 O ALA A 47 15.615 6.732 -8.062 1.00 0.00 O ATOM 544 CB ALA A 47 16.120 9.862 -8.714 1.00 0.01 C ATOM 0 H ALA A 47 15.572 10.816 -6.515 1.00 0.00 H new ATOM 0 HA ALA A 47 14.311 8.893 -8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 47 16.224 9.265 -9.620 1.00 0.01 H new ATOM 0 HB2 ALA A 47 15.607 10.794 -8.950 1.00 0.01 H new ATOM 0 HB3 ALA A 47 17.108 10.084 -8.311 1.00 0.01 H new ATOM 550 N THR A 48 16.916 7.731 -6.493 1.00 0.00 N ATOM 551 CA THR A 48 17.672 6.527 -6.093 1.00 0.00 C ATOM 552 C THR A 48 16.740 5.527 -5.403 1.00 0.00 C ATOM 553 O THR A 48 16.797 4.331 -5.684 1.00 0.00 O ATOM 554 CB THR A 48 18.834 6.898 -5.148 1.00 0.02 C ATOM 555 OG1 THR A 48 19.647 7.916 -5.753 1.00 0.11 O ATOM 556 CG2 THR A 48 19.692 5.683 -4.833 1.00 0.13 C ATOM 0 H THR A 48 17.191 8.569 -5.982 1.00 0.00 H new ATOM 0 HA THR A 48 18.089 6.071 -6.991 1.00 0.00 H new ATOM 0 HB THR A 48 18.409 7.271 -4.216 1.00 0.02 H new ATOM 0 HG1 THR A 48 20.572 7.823 -5.443 1.00 0.11 H new ATOM 0 HG21 THR A 48 20.503 5.974 -4.165 1.00 0.13 H new ATOM 0 HG22 THR A 48 19.080 4.921 -4.351 1.00 0.13 H new ATOM 0 HG23 THR A 48 20.109 5.282 -5.757 1.00 0.13 H new ATOM 564 N ARG A 49 15.884 6.030 -4.506 1.00 0.00 N ATOM 565 CA ARG A 49 14.920 5.194 -3.776 1.00 0.00 C ATOM 566 C ARG A 49 13.904 4.580 -4.774 1.00 0.00 C ATOM 567 O ARG A 49 13.604 3.387 -4.701 1.00 0.00 O ATOM 568 CB ARG A 49 14.193 6.028 -2.716 1.00 0.04 C ATOM 569 CG ARG A 49 15.097 6.495 -1.586 1.00 0.59 C ATOM 570 CD ARG A 49 14.416 7.541 -0.717 1.00 0.63 C ATOM 571 NE ARG A 49 13.137 7.076 -0.176 1.00 1.10 N ATOM 572 CZ ARG A 49 12.233 7.880 0.392 1.00 1.25 C ATOM 573 NH1 ARG A 49 12.484 9.178 0.525 1.00 1.08 N1+ ATOM 574 NH2 ARG A 49 11.084 7.383 0.840 1.00 2.30 N ATOM 0 H ARG A 49 15.839 7.020 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 49 15.453 4.388 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 49 13.744 6.898 -3.195 1.00 0.04 H new ATOM 0 HB3 ARG A 49 13.377 5.438 -2.298 1.00 0.04 H new ATOM 0 HG2 ARG A 49 15.382 5.641 -0.972 1.00 0.59 H new ATOM 0 HG3 ARG A 49 16.015 6.909 -2.002 1.00 0.59 H new ATOM 0 HD2 ARG A 49 15.078 7.811 0.106 1.00 0.63 H new ATOM 0 HD3 ARG A 49 14.251 8.445 -1.304 1.00 0.63 H new ATOM 0 HE ARG A 49 12.924 6.080 -0.236 1.00 1.10 H new ATOM 0 HH11 ARG A 49 13.368 9.563 0.193 1.00 1.08 H new ATOM 0 HH12 ARG A 49 11.792 9.789 0.959 1.00 1.08 H new ATOM 0 HH21 ARG A 49 10.890 6.386 0.751 1.00 2.30 H new ATOM 0 HH22 ARG A 49 10.396 7.999 1.273 1.00 2.30 H new ATOM 588 N ARG A 50 13.384 5.390 -5.694 1.00 0.00 N ATOM 589 CA ARG A 50 12.424 4.899 -6.679 1.00 0.00 C ATOM 590 C ARG A 50 13.081 3.842 -7.584 1.00 0.00 C ATOM 591 O ARG A 50 12.506 2.779 -7.824 1.00 0.00 O ATOM 592 CB ARG A 50 11.960 6.103 -7.519 1.00 0.06 C ATOM 593 CG ARG A 50 11.031 5.784 -8.682 1.00 1.20 C ATOM 594 CD ARG A 50 9.596 5.562 -8.233 1.00 1.36 C ATOM 595 NE ARG A 50 9.064 6.687 -7.454 1.00 1.99 N ATOM 596 CZ ARG A 50 7.790 7.094 -7.499 1.00 2.57 C ATOM 597 NH1 ARG A 50 6.927 6.510 -8.322 1.00 2.76 N1+ ATOM 598 NH2 ARG A 50 7.381 8.092 -6.724 1.00 3.51 N ATOM 0 H ARG A 50 13.609 6.381 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 50 11.575 4.431 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 50 11.455 6.809 -6.859 1.00 0.06 H new ATOM 0 HB3 ARG A 50 12.842 6.609 -7.912 1.00 0.06 H new ATOM 0 HG2 ARG A 50 11.061 6.601 -9.402 1.00 1.20 H new ATOM 0 HG3 ARG A 50 11.390 4.893 -9.196 1.00 1.20 H new ATOM 0 HD2 ARG A 50 8.967 5.402 -9.108 1.00 1.36 H new ATOM 0 HD3 ARG A 50 9.544 4.654 -7.633 1.00 1.36 H new ATOM 0 HE ARG A 50 9.705 7.190 -6.840 1.00 1.99 H new ATOM 0 HH11 ARG A 50 7.234 5.746 -8.925 1.00 2.76 H new ATOM 0 HH12 ARG A 50 5.957 6.825 -8.351 1.00 2.76 H new ATOM 0 HH21 ARG A 50 8.038 8.550 -6.093 1.00 3.51 H new ATOM 0 HH22 ARG A 50 6.409 8.401 -6.760 1.00 3.51 H new ATOM 612 N ALA A 51 14.283 4.149 -8.080 1.00 0.00 N ATOM 613 CA ALA A 51 15.021 3.234 -8.959 1.00 0.00 C ATOM 614 C ALA A 51 15.344 1.921 -8.253 1.00 0.00 C ATOM 615 O ALA A 51 15.297 0.855 -8.874 1.00 0.00 O ATOM 616 CB ALA A 51 16.299 3.893 -9.452 1.00 0.01 C ATOM 0 H ALA A 51 14.768 5.026 -7.888 1.00 0.00 H new ATOM 0 HA ALA A 51 14.384 3.007 -9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 51 16.836 3.203 -10.103 1.00 0.01 H new ATOM 0 HB2 ALA A 51 16.051 4.797 -10.008 1.00 0.01 H new ATOM 0 HB3 ALA A 51 16.927 4.152 -8.600 1.00 0.01 H new ATOM 622 N PHE A 52 15.673 2.000 -6.955 1.00 0.00 N ATOM 623 CA PHE A 52 15.993 0.788 -6.196 1.00 0.00 C ATOM 624 C PHE A 52 14.748 -0.113 -6.200 1.00 0.00 C ATOM 625 O PHE A 52 14.842 -1.311 -6.464 1.00 0.00 O ATOM 626 CB PHE A 52 16.472 1.045 -4.775 1.00 0.05 C ATOM 627 CG PHE A 52 17.310 -0.105 -4.296 1.00 0.37 C ATOM 628 CD1 PHE A 52 18.672 -0.125 -4.547 1.00 0.60 C ATOM 629 CD2 PHE A 52 16.737 -1.183 -3.641 1.00 0.62 C ATOM 630 CE1 PHE A 52 19.448 -1.196 -4.152 1.00 0.89 C ATOM 631 CE2 PHE A 52 17.511 -2.252 -3.240 1.00 0.89 C ATOM 632 CZ PHE A 52 18.867 -2.259 -3.497 1.00 0.99 C ATOM 0 H PHE A 52 15.723 2.868 -6.422 1.00 0.00 H new ATOM 0 HA PHE A 52 16.838 0.303 -6.685 1.00 0.00 H new ATOM 0 HB2 PHE A 52 17.052 1.967 -4.740 1.00 0.05 H new ATOM 0 HB3 PHE A 52 15.616 1.182 -4.114 1.00 0.05 H new ATOM 0 HD1 PHE A 52 19.132 0.708 -5.058 1.00 0.60 H new ATOM 0 HD2 PHE A 52 15.675 -1.186 -3.443 1.00 0.62 H new ATOM 0 HE1 PHE A 52 20.509 -1.200 -4.356 1.00 0.89 H new ATOM 0 HE2 PHE A 52 17.055 -3.084 -2.724 1.00 0.89 H new ATOM 0 HZ PHE A 52 19.472 -3.097 -3.185 1.00 0.99 H new ATOM 642 N LEU A 53 13.584 0.473 -5.914 1.00 0.00 N ATOM 643 CA LEU A 53 12.320 -0.274 -5.894 1.00 0.00 C ATOM 644 C LEU A 53 11.990 -0.850 -7.289 1.00 0.00 C ATOM 645 O LEU A 53 11.458 -1.964 -7.395 1.00 0.00 O ATOM 646 CB LEU A 53 11.176 0.614 -5.400 1.00 0.02 C ATOM 647 CG LEU A 53 11.261 1.012 -3.923 1.00 0.55 C ATOM 648 CD1 LEU A 53 10.104 1.922 -3.548 1.00 1.25 C ATOM 649 CD2 LEU A 53 11.271 -0.227 -3.039 1.00 1.14 C ATOM 0 H LEU A 53 13.488 1.464 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 53 12.437 -1.108 -5.202 1.00 0.00 H new ATOM 0 HB2 LEU A 53 11.152 1.520 -6.005 1.00 0.02 H new ATOM 0 HB3 LEU A 53 10.233 0.094 -5.568 1.00 0.02 H new ATOM 0 HG LEU A 53 12.192 1.557 -3.766 1.00 0.55 H new ATOM 0 HD11 LEU A 53 10.181 2.194 -2.495 1.00 1.25 H new ATOM 0 HD12 LEU A 53 10.138 2.824 -4.159 1.00 1.25 H new ATOM 0 HD13 LEU A 53 9.162 1.402 -3.720 1.00 1.25 H new ATOM 0 HD21 LEU A 53 11.332 0.073 -1.993 1.00 1.14 H new ATOM 0 HD22 LEU A 53 10.356 -0.797 -3.201 1.00 1.14 H new ATOM 0 HD23 LEU A 53 12.133 -0.846 -3.290 1.00 1.14 H new ATOM 661 N LYS A 54 12.303 -0.100 -8.347 1.00 0.00 N ATOM 662 CA LYS A 54 12.044 -0.556 -9.708 1.00 0.00 C ATOM 663 C LYS A 54 12.908 -1.804 -10.005 1.00 0.00 C ATOM 664 O LYS A 54 12.414 -2.767 -10.591 1.00 0.00 O ATOM 665 CB LYS A 54 12.349 0.582 -10.690 1.00 0.04 C ATOM 666 CG LYS A 54 11.745 0.400 -12.072 1.00 1.04 C ATOM 667 CD LYS A 54 12.606 -0.470 -12.970 1.00 1.51 C ATOM 668 CE LYS A 54 11.970 -0.645 -14.337 1.00 1.91 C ATOM 669 NZ LYS A 54 11.704 0.661 -14.999 1.00 2.46 N1+ ATOM 0 H LYS A 54 12.735 0.822 -8.285 1.00 0.00 H new ATOM 0 HA LYS A 54 10.996 -0.834 -9.821 1.00 0.00 H new ATOM 0 HB2 LYS A 54 11.983 1.518 -10.267 1.00 0.04 H new ATOM 0 HB3 LYS A 54 13.430 0.679 -10.790 1.00 0.04 H new ATOM 0 HG2 LYS A 54 10.756 -0.048 -11.977 1.00 1.04 H new ATOM 0 HG3 LYS A 54 11.610 1.376 -12.538 1.00 1.04 H new ATOM 0 HD2 LYS A 54 13.593 -0.020 -13.080 1.00 1.51 H new ATOM 0 HD3 LYS A 54 12.751 -1.445 -12.506 1.00 1.51 H new ATOM 0 HE2 LYS A 54 12.626 -1.244 -14.968 1.00 1.91 H new ATOM 0 HE3 LYS A 54 11.035 -1.196 -14.234 1.00 1.91 H new ATOM 0 HZ1 LYS A 54 11.496 0.504 -16.006 1.00 2.46 H new ATOM 0 HZ2 LYS A 54 10.889 1.121 -14.545 1.00 2.46 H new ATOM 0 HZ3 LYS A 54 12.541 1.272 -14.910 1.00 2.46 H new ATOM 683 N LYS A 55 14.185 -1.788 -9.604 1.00 0.00 N ATOM 684 CA LYS A 55 15.077 -2.939 -9.849 1.00 0.00 C ATOM 685 C LYS A 55 14.634 -4.162 -9.048 1.00 0.00 C ATOM 686 O LYS A 55 14.998 -5.291 -9.374 1.00 0.00 O ATOM 687 CB LYS A 55 16.547 -2.603 -9.562 1.00 0.04 C ATOM 688 CG LYS A 55 16.907 -2.481 -8.093 1.00 1.16 C ATOM 689 CD LYS A 55 18.384 -2.174 -7.909 1.00 1.85 C ATOM 690 CE LYS A 55 19.262 -3.295 -8.449 1.00 2.58 C ATOM 691 NZ LYS A 55 19.196 -4.519 -7.606 1.00 3.20 N1+ ATOM 0 H LYS A 55 14.623 -1.007 -9.116 1.00 0.00 H new ATOM 0 HA LYS A 55 15.000 -3.178 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 55 17.174 -3.374 -10.010 1.00 0.04 H new ATOM 0 HB3 LYS A 55 16.792 -1.664 -10.059 1.00 0.04 H new ATOM 0 HG2 LYS A 55 16.310 -1.693 -7.635 1.00 1.16 H new ATOM 0 HG3 LYS A 55 16.660 -3.409 -7.578 1.00 1.16 H new ATOM 0 HD2 LYS A 55 18.629 -1.242 -8.419 1.00 1.85 H new ATOM 0 HD3 LYS A 55 18.596 -2.023 -6.850 1.00 1.85 H new ATOM 0 HE2 LYS A 55 18.952 -3.539 -9.465 1.00 2.58 H new ATOM 0 HE3 LYS A 55 20.294 -2.950 -8.505 1.00 2.58 H new ATOM 0 HZ1 LYS A 55 19.835 -5.242 -7.993 1.00 3.20 H new ATOM 0 HZ2 LYS A 55 19.484 -4.287 -6.634 1.00 3.20 H new ATOM 0 HZ3 LYS A 55 18.222 -4.885 -7.600 1.00 3.20 H new ATOM 705 N LYS A 56 13.842 -3.917 -8.005 1.00 0.00 N ATOM 706 CA LYS A 56 13.308 -4.971 -7.144 1.00 0.00 C ATOM 707 C LYS A 56 12.034 -5.573 -7.797 1.00 0.00 C ATOM 708 O LYS A 56 11.496 -6.574 -7.308 1.00 0.00 O ATOM 709 CB LYS A 56 13.015 -4.422 -5.735 1.00 0.05 C ATOM 710 CG LYS A 56 12.406 -5.442 -4.778 1.00 0.97 C ATOM 711 CD LYS A 56 13.214 -6.731 -4.736 1.00 1.62 C ATOM 712 CE LYS A 56 12.494 -7.821 -3.958 1.00 2.03 C ATOM 713 NZ LYS A 56 12.524 -7.581 -2.491 1.00 2.62 N1+ ATOM 0 H LYS A 56 13.552 -2.978 -7.732 1.00 0.00 H new ATOM 0 HA LYS A 56 14.049 -5.763 -7.035 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.943 -4.046 -5.304 1.00 0.05 H new ATOM 0 HB3 LYS A 56 12.337 -3.573 -5.822 1.00 0.05 H new ATOM 0 HG2 LYS A 56 12.352 -5.014 -3.777 1.00 0.97 H new ATOM 0 HG3 LYS A 56 11.384 -5.664 -5.085 1.00 0.97 H new ATOM 0 HD2 LYS A 56 13.404 -7.075 -5.753 1.00 1.62 H new ATOM 0 HD3 LYS A 56 14.184 -6.538 -4.278 1.00 1.62 H new ATOM 0 HE2 LYS A 56 11.458 -7.880 -4.293 1.00 2.03 H new ATOM 0 HE3 LYS A 56 12.955 -8.785 -4.176 1.00 2.03 H new ATOM 0 HZ1 LYS A 56 11.910 -8.271 -2.014 1.00 2.62 H new ATOM 0 HZ2 LYS A 56 13.498 -7.685 -2.142 1.00 2.62 H new ATOM 0 HZ3 LYS A 56 12.185 -6.619 -2.290 1.00 2.62 H new ATOM 727 N GLY A 57 11.570 -4.954 -8.884 1.00 0.00 N ATOM 728 CA GLY A 57 10.386 -5.444 -9.573 1.00 0.00 C ATOM 729 C GLY A 57 9.079 -4.714 -9.350 1.00 0.00 C ATOM 730 O GLY A 57 8.048 -5.154 -9.862 1.00 0.00 O ATOM 0 H GLY A 57 11.993 -4.123 -9.298 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.595 -5.435 -10.643 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.240 -6.485 -9.286 1.00 0.00 H new ATOM 734 N LEU A 58 9.090 -3.615 -8.602 1.00 0.00 N ATOM 735 CA LEU A 58 7.858 -2.875 -8.375 1.00 0.00 C ATOM 736 C LEU A 58 7.637 -1.921 -9.577 1.00 0.00 C ATOM 737 O LEU A 58 8.591 -1.470 -10.213 1.00 0.00 O ATOM 738 CB LEU A 58 7.908 -2.071 -7.069 1.00 0.02 C ATOM 739 CG LEU A 58 7.833 -2.891 -5.777 1.00 0.31 C ATOM 740 CD1 LEU A 58 9.144 -3.609 -5.500 1.00 1.28 C ATOM 741 CD2 LEU A 58 7.456 -1.996 -4.608 1.00 1.24 C ATOM 0 H LEU A 58 9.919 -3.226 -8.153 1.00 0.00 H new ATOM 0 HA LEU A 58 7.033 -3.581 -8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 58 8.831 -1.492 -7.056 1.00 0.02 H new ATOM 0 HB3 LEU A 58 7.084 -1.357 -7.072 1.00 0.02 H new ATOM 0 HG LEU A 58 7.061 -3.650 -5.903 1.00 0.31 H new ATOM 0 HD11 LEU A 58 9.057 -4.182 -4.577 1.00 1.28 H new ATOM 0 HD12 LEU A 58 9.371 -4.284 -6.325 1.00 1.28 H new ATOM 0 HD13 LEU A 58 9.945 -2.877 -5.399 1.00 1.28 H new ATOM 0 HD21 LEU A 58 7.406 -2.591 -3.696 1.00 1.24 H new ATOM 0 HD22 LEU A 58 8.207 -1.215 -4.491 1.00 1.24 H new ATOM 0 HD23 LEU A 58 6.484 -1.540 -4.798 1.00 1.24 H new ATOM 753 N THR A 59 6.383 -1.624 -9.881 1.00 0.00 N ATOM 754 CA THR A 59 6.074 -0.728 -10.984 1.00 0.00 C ATOM 755 C THR A 59 5.927 0.682 -10.360 1.00 0.00 C ATOM 756 O THR A 59 5.822 0.816 -9.134 1.00 0.00 O ATOM 757 CB THR A 59 4.776 -1.136 -11.705 1.00 0.03 C ATOM 758 OG1 THR A 59 3.707 -1.265 -10.756 1.00 1.09 O ATOM 759 CG2 THR A 59 4.964 -2.452 -12.446 1.00 1.12 C ATOM 0 H THR A 59 5.569 -1.987 -9.384 1.00 0.00 H new ATOM 0 HA THR A 59 6.862 -0.760 -11.737 1.00 0.00 H new ATOM 0 HB THR A 59 4.526 -0.360 -12.428 1.00 0.03 H new ATOM 0 HG1 THR A 59 3.726 -2.162 -10.362 1.00 1.09 H new ATOM 0 HG21 THR A 59 4.035 -2.722 -12.949 1.00 1.12 H new ATOM 0 HG22 THR A 59 5.758 -2.343 -13.185 1.00 1.12 H new ATOM 0 HG23 THR A 59 5.233 -3.234 -11.736 1.00 1.12 H new ATOM 767 N ASP A 60 5.919 1.721 -11.191 1.00 0.00 N ATOM 768 CA ASP A 60 5.776 3.095 -10.692 1.00 0.00 C ATOM 769 C ASP A 60 4.451 3.247 -9.917 1.00 0.00 C ATOM 770 O ASP A 60 4.387 3.978 -8.938 1.00 0.00 O ATOM 771 CB ASP A 60 5.812 4.053 -11.887 1.00 0.03 C ATOM 772 CG ASP A 60 5.695 5.511 -11.500 1.00 1.35 C ATOM 773 OD1 ASP A 60 6.708 6.097 -11.062 1.00 1.89 O ATOM 774 OD2 ASP A 60 4.584 6.071 -11.605 1.00 2.18 O1- ATOM 0 H ASP A 60 6.009 1.645 -12.204 1.00 0.00 H new ATOM 0 HA ASP A 60 6.593 3.329 -10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.744 3.905 -12.433 1.00 0.03 H new ATOM 0 HB3 ASP A 60 5.000 3.801 -12.569 1.00 0.03 H new ATOM 779 N GLU A 61 3.410 2.549 -10.371 1.00 0.00 N ATOM 780 CA GLU A 61 2.090 2.585 -9.735 1.00 0.00 C ATOM 781 C GLU A 61 2.209 2.075 -8.285 1.00 0.00 C ATOM 782 O GLU A 61 1.664 2.669 -7.349 1.00 0.00 O ATOM 783 CB GLU A 61 1.103 1.723 -10.521 1.00 0.03 C ATOM 784 CG GLU A 61 -0.241 1.555 -9.839 1.00 1.28 C ATOM 785 CD GLU A 61 -1.204 0.737 -10.664 1.00 1.80 C ATOM 786 OE1 GLU A 61 -0.967 -0.475 -10.827 1.00 2.33 O1- ATOM 787 OE2 GLU A 61 -2.202 1.302 -11.162 1.00 2.34 O ATOM 0 H GLU A 61 3.456 1.942 -11.190 1.00 0.00 H new ATOM 0 HA GLU A 61 1.720 3.610 -9.726 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.948 2.169 -11.504 1.00 0.03 H new ATOM 0 HB3 GLU A 61 1.543 0.739 -10.683 1.00 0.03 H new ATOM 0 HG2 GLU A 61 -0.097 1.075 -8.871 1.00 1.28 H new ATOM 0 HG3 GLU A 61 -0.674 2.537 -9.647 1.00 1.28 H new ATOM 794 N GLU A 62 2.931 0.970 -8.116 1.00 0.00 N ATOM 795 CA GLU A 62 3.146 0.351 -6.796 1.00 0.00 C ATOM 796 C GLU A 62 4.059 1.211 -5.913 1.00 0.00 C ATOM 797 O GLU A 62 3.852 1.315 -4.707 1.00 0.00 O ATOM 798 CB GLU A 62 3.728 -1.048 -6.966 1.00 0.04 C ATOM 799 CG GLU A 62 2.780 -1.999 -7.673 1.00 0.47 C ATOM 800 CD GLU A 62 3.454 -3.279 -8.103 1.00 1.11 C ATOM 801 OE1 GLU A 62 4.169 -3.254 -9.129 1.00 1.99 O1- ATOM 802 OE2 GLU A 62 3.265 -4.312 -7.437 1.00 1.65 O ATOM 0 H GLU A 62 3.385 0.474 -8.883 1.00 0.00 H new ATOM 0 HA GLU A 62 2.181 0.278 -6.295 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.658 -0.983 -7.531 1.00 0.04 H new ATOM 0 HB3 GLU A 62 3.978 -1.454 -5.986 1.00 0.04 H new ATOM 0 HG2 GLU A 62 1.948 -2.236 -7.010 1.00 0.47 H new ATOM 0 HG3 GLU A 62 2.359 -1.503 -8.548 1.00 0.47 H new ATOM 809 N ILE A 63 5.068 1.826 -6.527 1.00 0.00 N ATOM 810 CA ILE A 63 6.010 2.687 -5.805 1.00 0.00 C ATOM 811 C ILE A 63 5.260 3.933 -5.295 1.00 0.00 C ATOM 812 O ILE A 63 5.464 4.354 -4.158 1.00 0.00 O ATOM 813 CB ILE A 63 7.224 3.095 -6.657 1.00 0.02 C ATOM 814 CG1 ILE A 63 7.917 1.847 -7.215 1.00 0.04 C ATOM 815 CG2 ILE A 63 8.193 3.903 -5.806 1.00 0.06 C ATOM 816 CD1 ILE A 63 9.049 2.146 -8.176 1.00 0.07 C ATOM 0 H ILE A 63 5.257 1.745 -7.526 1.00 0.00 H new ATOM 0 HA ILE A 63 6.409 2.116 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 63 6.889 3.708 -7.494 1.00 0.02 H new ATOM 0 HG12 ILE A 63 8.306 1.258 -6.384 1.00 0.04 H new ATOM 0 HG13 ILE A 63 7.176 1.230 -7.724 1.00 0.04 H new ATOM 0 HG21 ILE A 63 9.053 4.192 -6.410 1.00 0.06 H new ATOM 0 HG22 ILE A 63 7.693 4.798 -5.435 1.00 0.06 H new ATOM 0 HG23 ILE A 63 8.528 3.299 -4.963 1.00 0.06 H new ATOM 0 HD11 ILE A 63 9.487 1.211 -8.525 1.00 0.07 H new ATOM 0 HD12 ILE A 63 8.665 2.707 -9.028 1.00 0.07 H new ATOM 0 HD13 ILE A 63 9.812 2.736 -7.668 1.00 0.07 H new ATOM 828 N ASP A 64 4.399 4.507 -6.143 1.00 0.00 N ATOM 829 CA ASP A 64 3.612 5.693 -5.775 1.00 0.00 C ATOM 830 C ASP A 64 2.766 5.326 -4.544 1.00 0.00 C ATOM 831 O ASP A 64 2.706 6.091 -3.587 1.00 0.00 O ATOM 832 CB ASP A 64 2.719 6.150 -6.925 1.00 0.02 C ATOM 833 CG ASP A 64 3.296 7.342 -7.651 1.00 0.76 C ATOM 834 OD1 ASP A 64 4.285 7.168 -8.392 1.00 1.09 O1- ATOM 835 OD2 ASP A 64 2.768 8.458 -7.488 1.00 1.32 O ATOM 0 H ASP A 64 4.228 4.170 -7.090 1.00 0.00 H new ATOM 0 HA ASP A 64 4.280 6.524 -5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.584 5.328 -7.628 1.00 0.02 H new ATOM 0 HB3 ASP A 64 1.732 6.404 -6.539 1.00 0.02 H new ATOM 840 N MET A 65 2.122 4.147 -4.580 1.00 0.00 N ATOM 841 CA MET A 65 1.285 3.671 -3.458 1.00 0.00 C ATOM 842 C MET A 65 2.144 3.504 -2.179 1.00 0.00 C ATOM 843 O MET A 65 1.686 3.818 -1.074 1.00 0.00 O ATOM 844 CB MET A 65 0.604 2.345 -3.812 1.00 0.07 C ATOM 845 CG MET A 65 -0.416 2.463 -4.934 1.00 1.15 C ATOM 846 SD MET A 65 -1.188 0.885 -5.341 1.00 1.82 S ATOM 847 CE MET A 65 -2.317 1.385 -6.638 1.00 2.28 C ATOM 0 H MET A 65 2.163 3.505 -5.371 1.00 0.00 H new ATOM 0 HA MET A 65 0.512 4.416 -3.270 1.00 0.00 H new ATOM 0 HB2 MET A 65 1.366 1.621 -4.100 1.00 0.07 H new ATOM 0 HB3 MET A 65 0.110 1.952 -2.924 1.00 0.07 H new ATOM 0 HG2 MET A 65 -1.188 3.176 -4.645 1.00 1.15 H new ATOM 0 HG3 MET A 65 0.072 2.864 -5.822 1.00 1.15 H new ATOM 0 HE1 MET A 65 -2.818 0.506 -7.043 1.00 2.28 H new ATOM 0 HE2 MET A 65 -3.060 2.070 -6.230 1.00 2.28 H new ATOM 0 HE3 MET A 65 -1.761 1.884 -7.432 1.00 2.28 H new ATOM 857 N ALA A 66 3.379 3.014 -2.331 1.00 0.00 N ATOM 858 CA ALA A 66 4.291 2.829 -1.189 1.00 0.00 C ATOM 859 C ALA A 66 4.582 4.218 -0.574 1.00 0.00 C ATOM 860 O ALA A 66 4.495 4.392 0.649 1.00 0.00 O ATOM 861 CB ALA A 66 5.580 2.147 -1.631 1.00 0.00 C ATOM 0 H ALA A 66 3.773 2.738 -3.231 1.00 0.00 H new ATOM 0 HA ALA A 66 3.827 2.185 -0.442 1.00 0.00 H new ATOM 0 HB1 ALA A 66 6.238 2.021 -0.771 1.00 0.00 H new ATOM 0 HB2 ALA A 66 5.348 1.171 -2.057 1.00 0.00 H new ATOM 0 HB3 ALA A 66 6.078 2.761 -2.382 1.00 0.00 H new ATOM 867 N PHE A 67 4.922 5.201 -1.418 1.00 0.00 N ATOM 868 CA PHE A 67 5.206 6.547 -0.923 1.00 0.00 C ATOM 869 C PHE A 67 3.953 7.123 -0.241 1.00 0.00 C ATOM 870 O PHE A 67 4.050 7.754 0.808 1.00 0.00 O ATOM 871 CB PHE A 67 5.657 7.460 -2.069 1.00 0.02 C ATOM 872 CG PHE A 67 6.037 8.847 -1.624 1.00 0.69 C ATOM 873 CD1 PHE A 67 7.292 9.100 -1.093 1.00 0.79 C ATOM 874 CD2 PHE A 67 5.139 9.895 -1.741 1.00 1.48 C ATOM 875 CE1 PHE A 67 7.644 10.373 -0.688 1.00 1.35 C ATOM 876 CE2 PHE A 67 5.486 11.170 -1.336 1.00 2.10 C ATOM 877 CZ PHE A 67 6.738 11.405 -0.796 1.00 1.97 C ATOM 0 H PHE A 67 5.005 5.090 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 67 6.015 6.491 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.509 7.003 -2.572 1.00 0.02 H new ATOM 0 HB3 PHE A 67 4.854 7.531 -2.803 1.00 0.02 H new ATOM 0 HD1 PHE A 67 8.003 8.293 -0.995 1.00 0.79 H new ATOM 0 HD2 PHE A 67 4.157 9.714 -2.153 1.00 1.48 H new ATOM 0 HE1 PHE A 67 8.629 10.559 -0.287 1.00 1.35 H new ATOM 0 HE2 PHE A 67 4.781 11.982 -1.441 1.00 2.10 H new ATOM 0 HZ PHE A 67 7.005 12.396 -0.460 1.00 1.97 H new ATOM 887 N GLN A 68 2.787 6.895 -0.843 1.00 0.00 N ATOM 888 CA GLN A 68 1.539 7.393 -0.286 1.00 0.00 C ATOM 889 C GLN A 68 1.276 6.880 1.129 1.00 0.00 C ATOM 890 O GLN A 68 0.769 7.616 1.982 1.00 0.00 O ATOM 891 CB GLN A 68 0.368 7.024 -1.196 1.00 0.03 C ATOM 892 CG GLN A 68 0.435 7.674 -2.567 1.00 1.08 C ATOM 893 CD GLN A 68 -0.710 7.265 -3.478 1.00 1.66 C ATOM 894 OE1 GLN A 68 -1.251 6.074 -3.265 1.00 2.38 O flip ATOM 895 NE2 GLN A 68 -1.108 8.018 -4.363 1.00 2.32 N flip ATOM 0 H GLN A 68 2.684 6.371 -1.712 1.00 0.00 H new ATOM 0 HA GLN A 68 1.634 8.477 -0.224 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.340 5.941 -1.318 1.00 0.03 H new ATOM 0 HB3 GLN A 68 -0.564 7.314 -0.711 1.00 0.03 H new ATOM 0 HG2 GLN A 68 0.428 8.758 -2.449 1.00 1.08 H new ATOM 0 HG3 GLN A 68 1.380 7.411 -3.041 1.00 1.08 H new ATOM 0 HE21 GLN A 68 -0.666 8.927 -4.496 1.00 2.32 H new ATOM 0 HE22 GLN A 68 -1.881 7.734 -4.965 1.00 2.32 H new ATOM 904 N GLN A 69 1.623 5.621 1.369 1.00 0.00 N ATOM 905 CA GLN A 69 1.409 5.013 2.683 1.00 0.00 C ATOM 906 C GLN A 69 2.559 5.101 3.661 1.00 0.00 C ATOM 907 O GLN A 69 2.438 4.635 4.798 1.00 0.00 O ATOM 908 CB GLN A 69 1.025 3.544 2.497 1.00 0.03 C ATOM 909 CG GLN A 69 -0.270 3.346 1.723 1.00 1.01 C ATOM 910 CD GLN A 69 -0.583 1.886 1.447 1.00 1.49 C ATOM 911 OE1 GLN A 69 -0.155 1.003 2.339 1.00 2.11 O flip ATOM 912 NE2 GLN A 69 -1.209 1.556 0.438 1.00 2.22 N flip ATOM 0 H GLN A 69 2.051 5.003 0.679 1.00 0.00 H new ATOM 0 HA GLN A 69 0.613 5.604 3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 69 1.832 3.029 1.976 1.00 0.03 H new ATOM 0 HB3 GLN A 69 0.928 3.076 3.476 1.00 0.03 H new ATOM 0 HG2 GLN A 69 -1.093 3.788 2.285 1.00 1.01 H new ATOM 0 HG3 GLN A 69 -0.206 3.883 0.776 1.00 1.01 H new ATOM 0 HE21 GLN A 69 -1.521 2.267 -0.224 1.00 2.22 H new ATOM 0 HE22 GLN A 69 -1.415 0.572 0.265 1.00 2.22 H new ATOM 921 N SER A 70 3.666 5.694 3.226 1.00 0.00 N ATOM 922 CA SER A 70 4.875 5.843 4.045 1.00 0.00 C ATOM 923 C SER A 70 4.819 6.858 5.156 1.00 0.00 C ATOM 924 O SER A 70 5.679 6.869 6.046 1.00 0.00 O ATOM 925 CB SER A 70 6.071 6.164 3.146 1.00 0.02 C ATOM 926 OG SER A 70 6.375 5.080 2.285 1.00 1.27 O ATOM 0 H SER A 70 3.755 6.089 2.290 1.00 0.00 H new ATOM 0 HA SER A 70 4.973 4.880 4.547 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.854 7.052 2.553 1.00 0.02 H new ATOM 0 HB3 SER A 70 6.940 6.396 3.762 1.00 0.02 H new ATOM 0 HG SER A 70 5.611 4.905 1.697 1.00 1.27 H new ATOM 932 N GLY A 71 3.817 7.718 5.114 1.00 0.04 N ATOM 933 CA GLY A 71 3.657 8.714 6.147 1.00 0.08 C ATOM 934 C GLY A 71 2.291 8.636 6.784 1.00 0.99 C ATOM 935 O GLY A 71 1.991 7.691 7.513 1.00 1.78 O ATOM 0 H GLY A 71 3.109 7.744 4.380 1.00 0.04 H new ATOM 0 HA2 GLY A 71 4.424 8.575 6.909 1.00 0.08 H new ATOM 0 HA3 GLY A 71 3.806 9.707 5.723 1.00 0.08 H new ATOM 939 N THR A 72 1.455 9.612 6.487 1.00 1.70 N ATOM 940 CA THR A 72 0.118 9.661 7.040 1.00 2.54 C ATOM 941 C THR A 72 -0.906 9.207 6.003 1.00 2.86 C ATOM 942 O THR A 72 -1.378 10.003 5.187 1.00 3.42 O ATOM 943 CB THR A 72 -0.220 11.086 7.518 1.00 3.53 C ATOM 944 OG1 THR A 72 0.870 11.601 8.297 1.00 3.88 O ATOM 945 CG2 THR A 72 -1.493 11.094 8.354 1.00 4.27 C ATOM 0 H THR A 72 1.681 10.386 5.862 1.00 1.70 H new ATOM 0 HA THR A 72 0.080 8.985 7.895 1.00 2.54 H new ATOM 0 HB THR A 72 -0.380 11.715 6.642 1.00 3.53 H new ATOM 0 HG1 THR A 72 0.656 12.508 8.600 1.00 3.88 H new ATOM 0 HG21 THR A 72 -1.709 12.112 8.679 1.00 4.27 H new ATOM 0 HG22 THR A 72 -2.324 10.720 7.755 1.00 4.27 H new ATOM 0 HG23 THR A 72 -1.359 10.455 9.227 1.00 4.27 H new ATOM 953 N ALA A 73 -1.217 7.919 6.013 1.00 3.18 N ATOM 954 CA ALA A 73 -2.207 7.366 5.100 1.00 4.02 C ATOM 955 C ALA A 73 -3.579 7.418 5.750 1.00 4.49 C ATOM 956 O ALA A 73 -4.596 7.639 5.089 1.00 5.04 O ATOM 957 CB ALA A 73 -1.841 5.941 4.717 1.00 4.79 C ATOM 0 H ALA A 73 -0.797 7.236 6.644 1.00 3.18 H new ATOM 0 HA ALA A 73 -2.227 7.961 4.187 1.00 4.02 H new ATOM 0 HB1 ALA A 73 -2.592 5.543 4.034 1.00 4.79 H new ATOM 0 HB2 ALA A 73 -0.867 5.934 4.229 1.00 4.79 H new ATOM 0 HB3 ALA A 73 -1.802 5.322 5.613 1.00 4.79 H new ATOM 963 N ALA A 74 -3.587 7.225 7.057 1.00 4.74 N ATOM 964 CA ALA A 74 -4.788 7.376 7.854 1.00 5.57 C ATOM 965 C ALA A 74 -4.560 8.462 8.891 1.00 5.97 C ATOM 966 O ALA A 74 -3.466 8.567 9.449 1.00 6.51 O ATOM 967 CB ALA A 74 -5.162 6.061 8.519 1.00 6.11 C ATOM 0 H ALA A 74 -2.761 6.960 7.594 1.00 4.74 H new ATOM 0 HA ALA A 74 -5.618 7.664 7.208 1.00 5.57 H new ATOM 0 HB1 ALA A 74 -6.066 6.197 9.112 1.00 6.11 H new ATOM 0 HB2 ALA A 74 -5.340 5.305 7.755 1.00 6.11 H new ATOM 0 HB3 ALA A 74 -4.348 5.737 9.168 1.00 6.11 H new ATOM 973 N ASP A 75 -5.572 9.276 9.137 1.00 6.06 N ATOM 974 CA ASP A 75 -5.428 10.391 10.057 1.00 6.75 C ATOM 975 C ASP A 75 -5.582 9.918 11.494 1.00 6.91 C ATOM 976 O ASP A 75 -6.661 9.492 11.911 1.00 7.29 O ATOM 977 CB ASP A 75 -6.447 11.488 9.745 1.00 7.31 C ATOM 978 CG ASP A 75 -6.281 12.703 10.637 1.00 8.10 C ATOM 979 OD1 ASP A 75 -5.159 13.246 10.709 1.00 8.52 O ATOM 980 OD2 ASP A 75 -7.270 13.116 11.278 1.00 8.52 O1- ATOM 0 H ASP A 75 -6.497 9.187 8.716 1.00 6.06 H new ATOM 0 HA ASP A 75 -4.428 10.808 9.933 1.00 6.75 H new ATOM 0 HB2 ASP A 75 -6.344 11.789 8.703 1.00 7.31 H new ATOM 0 HB3 ASP A 75 -7.454 11.089 9.864 1.00 7.31 H new ATOM 985 N GLU A 76 -4.488 9.970 12.234 1.00 6.88 N ATOM 986 CA GLU A 76 -4.475 9.533 13.618 1.00 7.22 C ATOM 987 C GLU A 76 -4.314 10.728 14.546 1.00 7.26 C ATOM 988 O GLU A 76 -3.316 11.449 14.464 1.00 7.31 O ATOM 989 CB GLU A 76 -3.336 8.539 13.849 1.00 7.68 C ATOM 990 CG GLU A 76 -3.432 7.295 12.982 1.00 8.14 C ATOM 991 CD GLU A 76 -2.275 6.346 13.195 1.00 8.88 C ATOM 992 OE1 GLU A 76 -2.339 5.524 14.134 1.00 9.24 O ATOM 993 OE2 GLU A 76 -1.290 6.418 12.427 1.00 9.28 O1- ATOM 0 H GLU A 76 -3.590 10.314 11.895 1.00 6.88 H new ATOM 0 HA GLU A 76 -5.423 9.041 13.835 1.00 7.22 H new ATOM 0 HB2 GLU A 76 -2.386 9.036 13.654 1.00 7.68 H new ATOM 0 HB3 GLU A 76 -3.331 8.242 14.898 1.00 7.68 H new ATOM 0 HG2 GLU A 76 -4.366 6.777 13.199 1.00 8.14 H new ATOM 0 HG3 GLU A 76 -3.467 7.590 11.933 1.00 8.14 H new ATOM 1000 N PRO A 77 -5.304 10.957 15.427 1.00 7.55 N ATOM 1001 CA PRO A 77 -5.270 12.056 16.399 1.00 7.91 C ATOM 1002 C PRO A 77 -4.000 12.023 17.243 1.00 8.21 C ATOM 1003 O PRO A 77 -3.270 13.013 17.329 1.00 8.55 O ATOM 1004 CB PRO A 77 -6.508 11.810 17.264 1.00 8.46 C ATOM 1005 CG PRO A 77 -7.423 11.011 16.404 1.00 8.35 C ATOM 1006 CD PRO A 77 -6.539 10.160 15.538 1.00 7.88 C ATOM 0 HA PRO A 77 -5.270 13.035 15.919 1.00 7.91 H new ATOM 0 HB2 PRO A 77 -6.252 11.271 18.176 1.00 8.46 H new ATOM 0 HB3 PRO A 77 -6.971 12.749 17.568 1.00 8.46 H new ATOM 0 HG2 PRO A 77 -8.087 10.394 17.009 1.00 8.35 H new ATOM 0 HG3 PRO A 77 -8.055 11.660 15.798 1.00 8.35 H new ATOM 0 HD2 PRO A 77 -6.350 9.186 15.990 1.00 7.88 H new ATOM 0 HD3 PRO A 77 -6.988 9.976 14.562 1.00 7.88 H new ATOM 1014 N SER A 78 -3.733 10.881 17.854 1.00 8.33 N ATOM 1015 CA SER A 78 -2.493 10.686 18.578 1.00 8.82 C ATOM 1016 C SER A 78 -1.434 10.132 17.633 1.00 8.91 C ATOM 1017 O SER A 78 -1.402 8.933 17.352 1.00 9.14 O ATOM 1018 CB SER A 78 -2.699 9.739 19.760 1.00 9.31 C ATOM 1019 OG SER A 78 -3.675 10.246 20.659 1.00 9.45 O ATOM 0 H SER A 78 -4.360 10.076 17.862 1.00 8.33 H new ATOM 0 HA SER A 78 -2.159 11.646 18.970 1.00 8.82 H new ATOM 0 HB2 SER A 78 -3.010 8.760 19.395 1.00 9.31 H new ATOM 0 HB3 SER A 78 -1.755 9.598 20.286 1.00 9.31 H new ATOM 0 HG SER A 78 -3.789 9.621 21.405 1.00 9.45 H new ATOM 1025 N SER A 79 -0.600 11.014 17.110 1.00 8.98 N ATOM 1026 CA SER A 79 0.446 10.616 16.188 1.00 9.32 C ATOM 1027 C SER A 79 1.725 10.307 16.954 1.00 9.57 C ATOM 1028 O SER A 79 2.470 11.212 17.328 1.00 9.83 O ATOM 1029 CB SER A 79 0.701 11.729 15.174 1.00 9.60 C ATOM 1030 OG SER A 79 -0.519 12.292 14.715 1.00 9.64 O ATOM 0 H SER A 79 -0.628 12.014 17.310 1.00 8.98 H new ATOM 0 HA SER A 79 0.126 9.720 15.656 1.00 9.32 H new ATOM 0 HB2 SER A 79 1.315 12.506 15.629 1.00 9.60 H new ATOM 0 HB3 SER A 79 1.263 11.333 14.328 1.00 9.60 H new ATOM 0 HG SER A 79 -1.219 11.607 14.724 1.00 9.64 H new ATOM 1036 N LEU A 80 1.958 9.032 17.215 1.00 9.72 N ATOM 1037 CA LEU A 80 3.145 8.610 17.930 1.00 10.17 C ATOM 1038 C LEU A 80 4.090 7.908 16.963 1.00 10.43 C ATOM 1039 O LEU A 80 3.921 6.722 16.670 1.00 10.67 O ATOM 1040 CB LEU A 80 2.750 7.696 19.101 1.00 10.69 C ATOM 1041 CG LEU A 80 3.825 7.459 20.168 1.00 10.94 C ATOM 1042 CD1 LEU A 80 3.176 7.052 21.481 1.00 11.05 C ATOM 1043 CD2 LEU A 80 4.809 6.385 19.729 1.00 11.55 C ATOM 0 H LEU A 80 1.337 8.271 16.940 1.00 9.72 H new ATOM 0 HA LEU A 80 3.662 9.475 18.345 1.00 10.17 H new ATOM 0 HB2 LEU A 80 1.873 8.122 19.588 1.00 10.69 H new ATOM 0 HB3 LEU A 80 2.451 6.729 18.695 1.00 10.69 H new ATOM 0 HG LEU A 80 4.373 8.391 20.306 1.00 10.94 H new ATOM 0 HD11 LEU A 80 3.948 6.886 22.232 1.00 11.05 H new ATOM 0 HD12 LEU A 80 2.507 7.844 21.817 1.00 11.05 H new ATOM 0 HD13 LEU A 80 2.607 6.134 21.336 1.00 11.05 H new ATOM 0 HD21 LEU A 80 5.559 6.239 20.506 1.00 11.55 H new ATOM 0 HD22 LEU A 80 4.275 5.450 19.560 1.00 11.55 H new ATOM 0 HD23 LEU A 80 5.298 6.695 18.806 1.00 11.55 H new TER 1055 LEU A 80 ATOM 1056 N ALA B 57 8.005 -8.480 4.386 1.00 4.58 N ATOM 1057 CA ALA B 57 9.238 -9.191 4.096 1.00 4.03 C ATOM 1058 C ALA B 57 10.427 -8.373 4.575 1.00 3.47 C ATOM 1059 O ALA B 57 10.285 -7.192 4.898 1.00 3.63 O ATOM 1060 CB ALA B 57 9.350 -9.483 2.608 1.00 4.36 C ATOM 0 HA ALA B 57 9.230 -10.144 4.625 1.00 4.03 H new ATOM 0 HB1 ALA B 57 10.280 -10.016 2.411 1.00 4.36 H new ATOM 0 HB2 ALA B 57 8.506 -10.097 2.293 1.00 4.36 H new ATOM 0 HB3 ALA B 57 9.344 -8.546 2.052 1.00 4.36 H new ATOM 1066 N SER B 58 11.592 -8.996 4.630 1.00 3.11 N ATOM 1067 CA SER B 58 12.785 -8.314 5.096 1.00 2.86 C ATOM 1068 C SER B 58 13.229 -7.260 4.085 1.00 2.31 C ATOM 1069 O SER B 58 13.381 -7.548 2.896 1.00 2.12 O ATOM 1070 CB SER B 58 13.908 -9.328 5.318 1.00 3.13 C ATOM 1071 OG SER B 58 13.439 -10.459 6.036 1.00 3.70 O ATOM 0 H SER B 58 11.736 -9.969 4.359 1.00 3.11 H new ATOM 0 HA SER B 58 12.557 -7.816 6.039 1.00 2.86 H new ATOM 0 HB2 SER B 58 14.311 -9.645 4.356 1.00 3.13 H new ATOM 0 HB3 SER B 58 14.724 -8.858 5.867 1.00 3.13 H new ATOM 0 HG SER B 58 14.175 -11.094 6.164 1.00 3.70 H new ATOM 1077 N GLU B 59 13.440 -6.041 4.564 1.00 2.30 N ATOM 1078 CA GLU B 59 13.965 -4.972 3.727 1.00 2.03 C ATOM 1079 C GLU B 59 15.481 -5.077 3.660 1.00 1.55 C ATOM 1080 O GLU B 59 16.127 -4.380 2.886 1.00 1.37 O ATOM 1081 CB GLU B 59 13.546 -3.585 4.254 1.00 2.53 C ATOM 1082 CG GLU B 59 14.232 -3.153 5.549 1.00 3.15 C ATOM 1083 CD GLU B 59 13.969 -4.083 6.715 1.00 3.76 C ATOM 1084 OE1 GLU B 59 12.790 -4.288 7.066 1.00 4.42 O ATOM 1085 OE2 GLU B 59 14.941 -4.603 7.299 1.00 3.97 O1- ATOM 0 H GLU B 59 13.255 -5.768 5.529 1.00 2.30 H new ATOM 0 HA GLU B 59 13.547 -5.082 2.726 1.00 2.03 H new ATOM 0 HB2 GLU B 59 13.755 -2.842 3.484 1.00 2.53 H new ATOM 0 HB3 GLU B 59 12.468 -3.584 4.414 1.00 2.53 H new ATOM 0 HG2 GLU B 59 15.307 -3.093 5.378 1.00 3.15 H new ATOM 0 HG3 GLU B 59 13.895 -2.150 5.812 1.00 3.15 H new ATOM 1092 N ASP B 60 16.024 -5.977 4.475 1.00 1.56 N ATOM 1093 CA ASP B 60 17.466 -6.121 4.661 1.00 1.43 C ATOM 1094 C ASP B 60 18.221 -6.275 3.341 1.00 1.37 C ATOM 1095 O ASP B 60 19.279 -5.678 3.168 1.00 1.58 O ATOM 1096 CB ASP B 60 17.756 -7.319 5.564 1.00 1.70 C ATOM 1097 CG ASP B 60 19.214 -7.408 5.964 1.00 2.27 C ATOM 1098 OD1 ASP B 60 19.616 -6.693 6.906 1.00 2.59 O ATOM 1099 OD2 ASP B 60 19.962 -8.200 5.354 1.00 2.93 O1- ATOM 0 H ASP B 60 15.472 -6.632 5.029 1.00 1.56 H new ATOM 0 HA ASP B 60 17.820 -5.202 5.128 1.00 1.43 H new ATOM 0 HB2 ASP B 60 17.141 -7.250 6.461 1.00 1.70 H new ATOM 0 HB3 ASP B 60 17.468 -8.235 5.049 1.00 1.70 H new ATOM 1104 N GLU B 61 17.673 -7.051 2.407 1.00 1.48 N ATOM 1105 CA GLU B 61 18.343 -7.287 1.133 1.00 1.71 C ATOM 1106 C GLU B 61 18.502 -5.973 0.393 1.00 1.43 C ATOM 1107 O GLU B 61 19.614 -5.550 0.035 1.00 1.58 O ATOM 1108 CB GLU B 61 17.518 -8.238 0.265 1.00 2.15 C ATOM 1109 CG GLU B 61 17.164 -9.554 0.932 1.00 2.66 C ATOM 1110 CD GLU B 61 16.255 -10.397 0.064 1.00 3.02 C ATOM 1111 OE1 GLU B 61 16.766 -11.090 -0.842 1.00 3.30 O1- ATOM 1112 OE2 GLU B 61 15.028 -10.392 0.301 1.00 3.28 O ATOM 0 H GLU B 61 16.774 -7.523 2.509 1.00 1.48 H new ATOM 0 HA GLU B 61 19.319 -7.731 1.332 1.00 1.71 H new ATOM 0 HB2 GLU B 61 16.597 -7.735 -0.028 1.00 2.15 H new ATOM 0 HB3 GLU B 61 18.072 -8.447 -0.650 1.00 2.15 H new ATOM 0 HG2 GLU B 61 18.077 -10.109 1.149 1.00 2.66 H new ATOM 0 HG3 GLU B 61 16.676 -9.358 1.887 1.00 2.66 H new ATOM 1119 N LEU B 62 17.364 -5.323 0.209 1.00 1.21 N ATOM 1120 CA LEU B 62 17.293 -4.070 -0.504 1.00 0.95 C ATOM 1121 C LEU B 62 18.135 -3.031 0.196 1.00 0.74 C ATOM 1122 O LEU B 62 19.018 -2.438 -0.402 1.00 0.64 O ATOM 1123 CB LEU B 62 15.845 -3.583 -0.579 1.00 1.14 C ATOM 1124 CG LEU B 62 14.842 -4.600 -1.113 1.00 1.51 C ATOM 1125 CD1 LEU B 62 13.505 -3.935 -1.376 1.00 2.00 C ATOM 1126 CD2 LEU B 62 15.379 -5.262 -2.368 1.00 1.58 C ATOM 0 H LEU B 62 16.463 -5.656 0.554 1.00 1.21 H new ATOM 0 HA LEU B 62 17.671 -4.224 -1.515 1.00 0.95 H new ATOM 0 HB2 LEU B 62 15.530 -3.276 0.418 1.00 1.14 H new ATOM 0 HB3 LEU B 62 15.810 -2.696 -1.211 1.00 1.14 H new ATOM 0 HG LEU B 62 14.692 -5.374 -0.360 1.00 1.51 H new ATOM 0 HD11 LEU B 62 12.800 -4.674 -1.757 1.00 2.00 H new ATOM 0 HD12 LEU B 62 13.121 -3.511 -0.448 1.00 2.00 H new ATOM 0 HD13 LEU B 62 13.632 -3.141 -2.112 1.00 2.00 H new ATOM 0 HD21 LEU B 62 14.652 -5.985 -2.737 1.00 1.58 H new ATOM 0 HD22 LEU B 62 15.557 -4.504 -3.131 1.00 1.58 H new ATOM 0 HD23 LEU B 62 16.314 -5.773 -2.138 1.00 1.58 H new ATOM 1138 N VAL B 63 17.868 -2.856 1.477 1.00 0.79 N ATOM 1139 CA VAL B 63 18.507 -1.827 2.268 1.00 0.74 C ATOM 1140 C VAL B 63 20.025 -1.963 2.209 1.00 0.69 C ATOM 1141 O VAL B 63 20.728 -0.996 1.931 1.00 0.64 O ATOM 1142 CB VAL B 63 17.986 -1.866 3.731 1.00 0.90 C ATOM 1143 CG1 VAL B 63 18.940 -2.569 4.696 1.00 1.47 C ATOM 1144 CG2 VAL B 63 17.662 -0.466 4.210 1.00 0.82 C ATOM 0 H VAL B 63 17.200 -3.426 1.997 1.00 0.79 H new ATOM 0 HA VAL B 63 18.250 -0.854 1.848 1.00 0.74 H new ATOM 0 HB VAL B 63 17.075 -2.464 3.724 1.00 0.90 H new ATOM 0 HG11 VAL B 63 18.514 -2.560 5.699 1.00 1.47 H new ATOM 0 HG12 VAL B 63 19.089 -3.600 4.374 1.00 1.47 H new ATOM 0 HG13 VAL B 63 19.898 -2.049 4.704 1.00 1.47 H new ATOM 0 HG21 VAL B 63 17.298 -0.508 5.237 1.00 0.82 H new ATOM 0 HG22 VAL B 63 18.560 0.150 4.168 1.00 0.82 H new ATOM 0 HG23 VAL B 63 16.894 -0.031 3.570 1.00 0.82 H new ATOM 1154 N ALA B 64 20.513 -3.177 2.396 1.00 0.78 N ATOM 1155 CA ALA B 64 21.934 -3.415 2.460 1.00 0.85 C ATOM 1156 C ALA B 64 22.591 -3.091 1.131 1.00 0.74 C ATOM 1157 O ALA B 64 23.507 -2.267 1.071 1.00 0.78 O ATOM 1158 CB ALA B 64 22.191 -4.845 2.878 1.00 1.04 C ATOM 0 H ALA B 64 19.939 -4.013 2.506 1.00 0.78 H new ATOM 0 HA ALA B 64 22.378 -2.757 3.207 1.00 0.85 H new ATOM 0 HB1 ALA B 64 23.265 -5.023 2.926 1.00 1.04 H new ATOM 0 HB2 ALA B 64 21.750 -5.022 3.859 1.00 1.04 H new ATOM 0 HB3 ALA B 64 21.743 -5.523 2.151 1.00 1.04 H new ATOM 1164 N GLU B 65 22.091 -3.704 0.061 1.00 0.70 N ATOM 1165 CA GLU B 65 22.618 -3.441 -1.273 1.00 0.70 C ATOM 1166 C GLU B 65 22.494 -1.951 -1.600 1.00 0.63 C ATOM 1167 O GLU B 65 23.380 -1.354 -2.220 1.00 0.71 O ATOM 1168 CB GLU B 65 21.860 -4.278 -2.306 1.00 0.78 C ATOM 1169 CG GLU B 65 22.381 -4.130 -3.725 1.00 1.08 C ATOM 1170 CD GLU B 65 21.595 -4.955 -4.720 1.00 1.35 C ATOM 1171 OE1 GLU B 65 21.923 -6.149 -4.902 1.00 1.54 O ATOM 1172 OE2 GLU B 65 20.645 -4.418 -5.325 1.00 1.73 O1- ATOM 0 H GLU B 65 21.328 -4.380 0.092 1.00 0.70 H new ATOM 0 HA GLU B 65 23.672 -3.718 -1.302 1.00 0.70 H new ATOM 0 HB2 GLU B 65 21.914 -5.328 -2.018 1.00 0.78 H new ATOM 0 HB3 GLU B 65 20.807 -3.996 -2.285 1.00 0.78 H new ATOM 0 HG2 GLU B 65 22.340 -3.080 -4.016 1.00 1.08 H new ATOM 0 HG3 GLU B 65 23.429 -4.429 -3.757 1.00 1.08 H new ATOM 1179 N PHE B 66 21.400 -1.364 -1.130 1.00 0.53 N ATOM 1180 CA PHE B 66 21.067 0.029 -1.388 1.00 0.49 C ATOM 1181 C PHE B 66 22.144 0.978 -0.870 1.00 0.60 C ATOM 1182 O PHE B 66 22.921 1.510 -1.657 1.00 0.71 O ATOM 1183 CB PHE B 66 19.714 0.339 -0.742 1.00 0.37 C ATOM 1184 CG PHE B 66 19.218 1.740 -0.918 1.00 0.33 C ATOM 1185 CD1 PHE B 66 18.676 2.139 -2.121 1.00 0.37 C ATOM 1186 CD2 PHE B 66 19.325 2.665 0.104 1.00 0.37 C ATOM 1187 CE1 PHE B 66 18.241 3.425 -2.307 1.00 0.41 C ATOM 1188 CE2 PHE B 66 18.896 3.962 -0.073 1.00 0.42 C ATOM 1189 CZ PHE B 66 18.249 4.317 -1.202 1.00 0.41 C ATOM 0 H PHE B 66 20.712 -1.848 -0.553 1.00 0.53 H new ATOM 0 HA PHE B 66 21.009 0.182 -2.466 1.00 0.49 H new ATOM 0 HB2 PHE B 66 18.971 -0.345 -1.152 1.00 0.37 H new ATOM 0 HB3 PHE B 66 19.785 0.129 0.325 1.00 0.37 H new ATOM 0 HD1 PHE B 66 18.593 1.427 -2.929 1.00 0.37 H new ATOM 0 HD2 PHE B 66 19.750 2.367 1.051 1.00 0.37 H new ATOM 0 HE1 PHE B 66 17.898 3.754 -3.277 1.00 0.41 H new ATOM 0 HE2 PHE B 66 19.079 4.698 0.696 1.00 0.42 H new ATOM 0 HZ PHE B 66 17.743 5.269 -1.265 1.00 0.41 H new ATOM 1199 N LEU B 67 22.229 1.172 0.444 1.00 0.64 N ATOM 1200 CA LEU B 67 23.152 2.178 0.971 1.00 0.76 C ATOM 1201 C LEU B 67 24.611 1.729 0.922 1.00 0.87 C ATOM 1202 O LEU B 67 25.509 2.569 0.969 1.00 1.01 O ATOM 1203 CB LEU B 67 22.783 2.738 2.370 1.00 0.83 C ATOM 1204 CG LEU B 67 22.067 1.834 3.379 1.00 1.20 C ATOM 1205 CD1 LEU B 67 20.603 1.676 3.003 1.00 1.70 C ATOM 1206 CD2 LEU B 67 22.760 0.483 3.509 1.00 1.45 C ATOM 0 H LEU B 67 21.689 0.665 1.145 1.00 0.64 H new ATOM 0 HA LEU B 67 23.035 3.015 0.283 1.00 0.76 H new ATOM 0 HB2 LEU B 67 23.705 3.083 2.837 1.00 0.83 H new ATOM 0 HB3 LEU B 67 22.156 3.616 2.215 1.00 0.83 H new ATOM 0 HG LEU B 67 22.116 2.312 4.358 1.00 1.20 H new ATOM 0 HD11 LEU B 67 20.108 1.031 3.729 1.00 1.70 H new ATOM 0 HD12 LEU B 67 20.121 2.654 2.998 1.00 1.70 H new ATOM 0 HD13 LEU B 67 20.528 1.230 2.011 1.00 1.70 H new ATOM 0 HD21 LEU B 67 22.225 -0.132 4.233 1.00 1.45 H new ATOM 0 HD22 LEU B 67 22.765 -0.018 2.541 1.00 1.45 H new ATOM 0 HD23 LEU B 67 23.786 0.631 3.847 1.00 1.45 H new ATOM 1218 N GLN B 68 24.875 0.426 0.854 1.00 0.87 N ATOM 1219 CA GLN B 68 26.258 -0.024 0.716 1.00 1.00 C ATOM 1220 C GLN B 68 26.790 0.283 -0.677 1.00 1.06 C ATOM 1221 O GLN B 68 27.789 0.985 -0.826 1.00 1.23 O ATOM 1222 CB GLN B 68 26.404 -1.517 0.999 1.00 1.03 C ATOM 1223 CG GLN B 68 26.253 -1.881 2.462 1.00 1.31 C ATOM 1224 CD GLN B 68 26.505 -3.350 2.714 1.00 1.46 C ATOM 1225 OE1 GLN B 68 25.459 -4.149 2.618 1.00 1.94 O flip ATOM 1226 NE2 GLN B 68 27.633 -3.764 2.980 1.00 1.86 N flip ATOM 0 H GLN B 68 24.175 -0.315 0.891 1.00 0.87 H new ATOM 0 HA GLN B 68 26.843 0.522 1.456 1.00 1.00 H new ATOM 0 HB2 GLN B 68 25.658 -2.061 0.420 1.00 1.03 H new ATOM 0 HB3 GLN B 68 27.382 -1.849 0.651 1.00 1.03 H new ATOM 0 HG2 GLN B 68 26.948 -1.288 3.056 1.00 1.31 H new ATOM 0 HG3 GLN B 68 25.248 -1.624 2.797 1.00 1.31 H new ATOM 0 HE21 GLN B 68 28.414 -3.111 3.044 1.00 1.86 H new ATOM 0 HE22 GLN B 68 27.787 -4.760 3.136 1.00 1.86 H new ATOM 1235 N ASP B 69 26.107 -0.214 -1.699 1.00 1.01 N ATOM 1236 CA ASP B 69 26.595 -0.079 -3.066 1.00 1.19 C ATOM 1237 C ASP B 69 26.301 1.304 -3.634 1.00 1.35 C ATOM 1238 O ASP B 69 27.083 1.844 -4.416 1.00 1.63 O ATOM 1239 CB ASP B 69 25.975 -1.154 -3.957 1.00 1.31 C ATOM 1240 CG ASP B 69 26.282 -0.945 -5.424 1.00 1.74 C ATOM 1241 OD1 ASP B 69 27.437 -1.185 -5.835 1.00 1.82 O ATOM 1242 OD2 ASP B 69 25.362 -0.552 -6.175 1.00 2.33 O1- ATOM 0 H ASP B 69 25.220 -0.711 -1.610 1.00 1.01 H new ATOM 0 HA ASP B 69 27.677 -0.208 -3.045 1.00 1.19 H new ATOM 0 HB2 ASP B 69 26.343 -2.132 -3.649 1.00 1.31 H new ATOM 0 HB3 ASP B 69 24.895 -1.160 -3.813 1.00 1.31 H new ATOM 1247 N GLN B 70 25.184 1.880 -3.228 1.00 1.32 N ATOM 1248 CA GLN B 70 24.755 3.169 -3.750 1.00 1.64 C ATOM 1249 C GLN B 70 25.044 4.280 -2.740 1.00 2.00 C ATOM 1250 O GLN B 70 24.367 5.310 -2.721 1.00 2.48 O ATOM 1251 CB GLN B 70 23.266 3.130 -4.106 1.00 1.73 C ATOM 1252 CG GLN B 70 22.843 4.233 -5.059 1.00 2.25 C ATOM 1253 CD GLN B 70 23.626 4.206 -6.356 1.00 2.84 C ATOM 1254 OE1 GLN B 70 24.678 4.833 -6.475 1.00 3.22 O ATOM 1255 NE2 GLN B 70 23.123 3.473 -7.332 1.00 3.57 N ATOM 0 H GLN B 70 24.554 1.475 -2.536 1.00 1.32 H new ATOM 0 HA GLN B 70 25.319 3.382 -4.658 1.00 1.64 H new ATOM 0 HB2 GLN B 70 23.033 2.164 -4.554 1.00 1.73 H new ATOM 0 HB3 GLN B 70 22.679 3.207 -3.191 1.00 1.73 H new ATOM 0 HG2 GLN B 70 21.780 4.133 -5.277 1.00 2.25 H new ATOM 0 HG3 GLN B 70 22.980 5.200 -4.575 1.00 2.25 H new ATOM 0 HE21 GLN B 70 22.248 2.969 -7.192 1.00 3.57 H new ATOM 0 HE22 GLN B 70 23.610 3.411 -8.226 1.00 3.57 H new ATOM 1264 N ASN B 71 26.040 4.042 -1.887 1.00 2.07 N ATOM 1265 CA ASN B 71 26.450 5.004 -0.855 1.00 2.66 C ATOM 1266 C ASN B 71 26.619 6.417 -1.425 1.00 2.83 C ATOM 1267 O ASN B 71 26.312 7.402 -0.751 1.00 3.47 O ATOM 1268 CB ASN B 71 27.758 4.555 -0.181 1.00 3.15 C ATOM 1269 CG ASN B 71 28.922 4.422 -1.152 1.00 3.80 C ATOM 1270 OD1 ASN B 71 29.646 5.385 -1.412 1.00 4.30 O ATOM 1271 ND2 ASN B 71 29.132 3.223 -1.671 1.00 4.26 N ATOM 0 H ASN B 71 26.586 3.181 -1.889 1.00 2.07 H new ATOM 0 HA ASN B 71 25.654 5.033 -0.111 1.00 2.66 H new ATOM 0 HB2 ASN B 71 28.023 5.272 0.596 1.00 3.15 H new ATOM 0 HB3 ASN B 71 27.594 3.597 0.312 1.00 3.15 H new ATOM 0 HD21 ASN B 71 29.914 3.073 -2.309 1.00 4.26 H new ATOM 0 HD22 ASN B 71 28.512 2.449 -1.433 1.00 4.26 H new TER 1278 ASN B 71